Geometry & MOs

Info

ID:	143001
PubChem CID:	53131326
Reduced:	BrON3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	339.174691
ΔH_f, kcal/mol:	-5.06
Dipole, Da:	4.51
IP(EA), eV:	-8.86(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-2-methylphenyl)-3-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CCC2=CC3=C(C=C2)N=C(N3)C(C)C

DOS

IR

Vibrations