Geometry & MOs

Info

ID:	435240
PubChem CID:	135185872
Reduced:	ClN3H8C12 (1)
Stoich.:	AB3C8D12 (1)
Weight, g/mol:	303.07318
ΔH_f, kcal/mol:	75.17
Dipole, Da:	0.45
IP(EA), eV:	-8.91(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pyrimidin-5-yl-3-(2,2,2-trifluoroethyl)benzimidazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)NC(=C2)C3=CN=CN=C3

DOS

IR

Vibrations