Geometry & MOs

Info

ID:	162257
PubChem CID:	57394084
Reduced:	O2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	309.122575
ΔH_f, kcal/mol:	-39.81
Dipole, Da:	2.73
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-imidazol-2-yl)-1-oxo-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide

Drug info:

PubChemData

Smile

C1CNC(=O)C2=CC3=C(N2C1)C=C(C=C3)C(=O)N

DOS

IR

Vibrations