Geometry & MOs

Info

ID:	161692
PubChem CID:	57392343
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	-20.0
Dipole, Da:	5.02
IP(EA), eV:	-9.43(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-N-phenyl-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations