Geometry & MOs

Info

ID:	84769
PubChem CID:	49869765
Reduced:	NC29H49 (1)
Stoich.:	AB29C49 (1)
Weight, g/mol:	413.210327
ΔH_f, kcal/mol:	60.19
Dipole, Da:	0.81
IP(EA), eV:	-8.94(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,6-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)-4-phenylmethoxypyridin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC#CC#CCCCCCCCCCN(C)CC#C

DOS

IR

Vibrations