Geometry & MOs

Info

ID:	334767
PubChem CID:	127253442
Reduced:	N4O6C29H40 (1)
Stoich.:	A4B6C29D40 (1)
Weight, g/mol:	414.241962
ΔH_f, kcal/mol:	-192.27
Dipole, Da:	10.22
IP(EA), eV:	-8.13(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-2-pyridin-3-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCCN(C)C)OC)OC)OC

DOS

IR

Vibrations