Geometry & MOs

Info

ID:	244315
PubChem CID:	99343946
Reduced:	ON7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	467.159354
ΔH_f, kcal/mol:	104.41
Dipole, Da:	4.61
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-1,3-dioxo-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=CN(N=C3)CC4=CC=NC=C4)C)C

DOS

IR

Vibrations