Geometry & MOs

Info

ID:	435957
PubChem CID:	135193005
Reduced:	ClFOSN3H17C20 (1)
Stoich.:	ABCDE3F17G20 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	98.28
Dipole, Da:	2.92
IP(EA), eV:	-8.56(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-cyclopropyl-2-(4-methylpyrimidin-5-yl)benzimidazol-5-yl]ethanone

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)N=C(N2C[C@@H]3C#C[C@@]3(C2)C4=C(C=C(C=C4)F)Cl)SC

DOS

IR

Vibrations