Geometry & MOs

Info

ID:	307521
PubChem CID:	125307327
Reduced:	N6C13H18 (1)
Stoich.:	A6B13C18 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	112.59
Dipole, Da:	2.05
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C=NN1C)C2=NN=C(C2)C3=C(N(N=C3)C)C

DOS

IR

Vibrations