Geometry & MOs

Info

ID:	84733
PubChem CID:	49869491
Reduced:	O2N3H23C24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	2.42
IP(EA), eV:	-8.28(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(CNC1)C3=C(N2)C=C(C=C3)N4C=CC(=CC4=O)OCC5=CC=CC=C5

DOS

IR

Vibrations