Geometry & MOs

Info

ID:	205791
PubChem CID:	80157882
Reduced:	O2N5C13H13 (1)
Stoich.:	A2B5C13D13 (1)
Weight, g/mol:	287.101839
ΔH_f, kcal/mol:	84.36
Dipole, Da:	5.42
IP(EA), eV:	-8.69(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-nitro-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC=C(N1NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations