Geometry & MOs

Info

ID:	302763
PubChem CID:	124394743
Reduced:	BrON2F3H10C17 (1)
Stoich.:	ABC2D3E10F17 (1)
Weight, g/mol:	359.199762
ΔH_f, kcal/mol:	-104.55
Dipole, Da:	5.35
IP(EA), eV:	-9.59(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations