Geometry & MOs

Info

ID:	315885
PubChem CID:	126629284
Reduced:	FN2O3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	438.175499
ΔH_f, kcal/mol:	-90.86
Dipole, Da:	5.84
IP(EA), eV:	-9.1(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-5-[3-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=N3)CO)OCC4CC4)F

DOS

IR

Vibrations