Geometry & MOs

Info

ID:

313414

PubChem CID:

126614567

Reduced:

O14N21C66H111 (1)

Stoich.:

A14B21C66D111 (1)

Weight, g/mol:

426.209599

ΔHf, kcal/mol:

-551.0

Dipole, Da:

1.68

IP(EA), eV:

 -8.64(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-10-phenyl-6-(2-phenyl-2H-pyridin-1-yl)-4H-benzo[a]quinolizine

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCCOCCOCCNC(=O)CN1CCN(CCNCCN(CC1)CC(=O)NCCOCCOCCN)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)C(C3=CNC4=CC=CC=C43)NC(=O)C

DOS

IR

Vibrations