Geometry & MOs

Info

ID:	315896
PubChem CID:	126629350
Reduced:	FN2O3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	434.200571
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	1.74
IP(EA), eV:	-9.36(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[2-(1-hydroxyethyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=C(N=CC(=C2)C3=CC=CC=C3COC)OCC4CC4)F

DOS

IR

Vibrations