Geometry & MOs

Info

ID:	181406
PubChem CID:	76744239
Reduced:	ON2H28C29 (1)
Stoich.:	AB2C28D29 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	36.43
Dipole, Da:	4.94
IP(EA), eV:	-9.01(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-indol-6-yl-(6-methoxy-7-methyl-2,3,4,4a,9,9a-hexahydroindeno[2,1-b]pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC2C(CCC3=C2C=CC(=C3)CC4=CC=CC=C4)N(C1)C(=O)C5=CC6=C(CC=N6)C=C5

DOS

IR

Vibrations