Geometry & MOs

Info

ID:	315906
PubChem CID:	126629399
Reduced:	FO2N3C25H28 (1)
Stoich.:	AB2C3D25E28 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-87.88
Dipole, Da:	2.78
IP(EA), eV:	-8.36(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)C3=C(C=CN=C3)CO)NCC(C)C)F

DOS

IR

Vibrations