Geometry & MOs

Info

ID:	223700
PubChem CID:	85335441
Reduced:	O3N4F5H19C23 (1)
Stoich.:	A3B4C5D19E23 (1)
Weight, g/mol:	494.285718
ΔH_f, kcal/mol:	-252.8
Dipole, Da:	4.02
IP(EA), eV:	-9.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-(azepan-1-yl)but-2-enyl]benzimidazol-2-yl]methyl]-N-butyl-2,3-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=C(C=C(C=C2)F)C3=CC(=C(C=C3)C(C)NC(=O)C4(CC4)NC(=O)C(F)(F)F)F

DOS

IR

Vibrations