Geometry & MOs

Info

ID:	84938
PubChem CID:	49870804
Reduced:	NO4C25H33 (1)
Stoich.:	AB4C25D33 (1)
Weight, g/mol:	410.210661
ΔH_f, kcal/mol:	-122.96
Dipole, Da:	4.7
IP(EA), eV:	-8.98(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10-methyl-1,2,3,5,11,11a-hexahydroindolizino[7,6-b]indol-8-yl)-4-(6-methylpyridin-3-yl)pyridin-2-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCCCCC[C@H]2C=CC(=O)[C@@H]2/C=C/[C@H](COC3=CC=CC=C3)O

DOS

IR

Vibrations