Geometry & MOs

Info

ID:	132159
PubChem CID:	51314612
Reduced:	O2N7C19H19 (1)
Stoich.:	A2B7C19D19 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	48.15
Dipole, Da:	4.82
IP(EA), eV:	-9.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCC3=CC=CC=C3CN4C=CC=N4

DOS

IR

Vibrations