Geometry & MOs

Info

ID:

307725

PubChem CID:

125308705

Reduced:

O2N3C29H45 (1)

Stoich.:

A2B3C29D45 (1)

Weight, g/mol:

467.351178

ΔHf, kcal/mol:

-125.0

Dipole, Da:

2.6

IP(EA), eV:

 -8.7(0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)NC[C@H]3CCCN4[C@@H]3CCCC4

DOS

IR

Vibrations