Geometry & MOs

Info

ID:	128521
PubChem CID:	51048525
Reduced:	OSN6C17H18 (1)
Stoich.:	ABC6D17E18 (1)
Weight, g/mol:	388.153541
ΔH_f, kcal/mol:	84.45
Dipole, Da:	5.37
IP(EA), eV:	-8.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylpyrazol-4-yl)-1,3-dioxo-2-(3-phenylpropyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(SCC(=O)N=C2N(N1)C3=CC=CC=N3)C4=C(N(N=C4)C)C

DOS

IR

Vibrations