Geometry & MOs

Info

ID:	205827
PubChem CID:	80163502
Reduced:	SN5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	68.23
Dipole, Da:	6.82
IP(EA), eV:	-8.11(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylmethyl)-6-nitro-1H-benzimidazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1C)SC2=NC3=C(N2)C=C(C=C3)N)C

DOS

IR

Vibrations