Geometry & MOs

Info

ID:	124290
PubChem CID:	50877077
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	237.103275
ΔH_f, kcal/mol:	-5.51
Dipole, Da:	3.68
IP(EA), eV:	-9.19(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-butan-2-yl-5-chlorobenzimidazol-2-yl)methanamine

Drug info:

PubChemData

Smile

CCC(C)N1C2=C(C=C(C=C2)Cl)N=C1C=O

DOS

IR

Vibrations