Geometry & MOs

Info

ID:	326900
PubChem CID:	126688603
Reduced:	O4N5C25H25 (1)
Stoich.:	A4B5C25D25 (1)
Weight, g/mol:	458.176562
ΔH_f, kcal/mol:	-64.14
Dipole, Da:	10.39
IP(EA), eV:	-8.97(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-6-methyl-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CN2C3=C(C=C(C=C3)N4CCCOC4=O)N=C2NC(=O)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations