Geometry & MOs

Info

ID:	295422
PubChem CID:	117528421
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	61.31
Dipole, Da:	1.31
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butyl-3-methylbenzimidazol-5-yl)propan-2-one

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC2=C(C=C1)N=C(N2C)C3CCC3

DOS

IR

Vibrations