Geometry & MOs

Info

ID:	299878
PubChem CID:	117821144
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	397.078659
ΔH_f, kcal/mol:	-84.76
Dipole, Da:	4.05
IP(EA), eV:	-9.53(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(trifluoromethoxy)phenyl]benzo[e]benzimidazole-7-carbonyl azide

Drug info:

PubChemData

Smile

C1CC(CCC1COCC2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations