Geometry & MOs

Info

ID:	36368
PubChem CID:	8002802
Reduced:	FO2H7C9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	294.067224
ΔH_f, kcal/mol:	-181.12
Dipole, Da:	5.06
IP(EA), eV:	-9.13(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C/C(=O)OCC(=O)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations