Geometry & MOs

Info

ID:	185739
PubChem CID:	77342658
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-75.36
Dipole, Da:	2.06
IP(EA), eV:	-9.62(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole;6-nitro-1H-benzimidazole

Drug info:

PubChemData

Smile

CCC(=O)C(C1=CC=CC=C1)NC(=O)NCC

DOS

IR

Vibrations