Geometry & MOs

Info

ID:	315887
PubChem CID:	126629296
Reduced:	FN2O3C28H31 (1)
Stoich.:	AB2C3D28E31 (1)
Weight, g/mol:	438.175499
ΔH_f, kcal/mol:	-101.18
Dipole, Da:	3.95
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-5-[5-fluoro-2-(hydroxymethyl)phenyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C3=C(C=CC=C3N(C)C)CO)OCC4CC4)F

DOS

IR

Vibrations