Geometry & MOs

Info

ID:	315912
PubChem CID:	126629417
Reduced:	ClFN2O3H24C25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	438.175499
ΔH_f, kcal/mol:	-101.37
Dipole, Da:	5.24
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)CNC(=O)C2=C(C=CC(=C2)C3=C(C=CC=N3)CO)OCC4CC4)F

DOS

IR

Vibrations