Geometry & MOs

Info

ID:	315910
PubChem CID:	126629412
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	438.175499
ΔH_f, kcal/mol:	-41.76
Dipole, Da:	5.22
IP(EA), eV:	-8.94(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=C(C=CC(=C2)C3=C(C=CC=N3)CO)OCC4CC4

DOS

IR

Vibrations