Geometry & MOs

Info

ID:	326858
PubChem CID:	126688426
Reduced:	F2O4N5C25H27 (1)
Stoich.:	A2B4C5D25E27 (1)
Weight, g/mol:	458.176562
ΔH_f, kcal/mol:	-199.95
Dipole, Da:	5.22
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(4-hydroxybutyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)OCCCN1C2=C(C=C(C=C2)N3CCN(CC3=O)C)N=C1NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations