Geometry & MOs

Info

ID:	244491
PubChem CID:	99355733
Reduced:	ClON4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	442.200491
ΔH_f, kcal/mol:	39.71
Dipole, Da:	5.17
IP(EA), eV:	-9.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-[2-(2-phenylethyl)pyrazol-3-yl]-4-(pyridin-3-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=CC=N2)NC(=O)CNC3=CC=CC=C3Cl

DOS

IR

Vibrations