Geometry & MOs

Info

ID:	315929
PubChem CID:	126629458
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	418.205656
ΔH_f, kcal/mol:	-140.52
Dipole, Da:	2.03
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-5-(3-ethylpyridin-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)OCC(C)C)C(=O)C2CCC(CC2)OC

DOS

IR

Vibrations