Geometry & MOs

Info

ID:	315900
PubChem CID:	126629363
Reduced:	FN2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	434.200571
ΔH_f, kcal/mol:	-113.06
Dipole, Da:	6.27
IP(EA), eV:	-9.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=C(C=CC=N2)CO)C(=O)NCC3=CC(=C(C=C3)C)F

DOS

IR

Vibrations