Geometry & MOs

Info

ID:	70912
PubChem CID:	48414038
Reduced:	N3O3H19C22 (1)
Stoich.:	A3B3C19D22 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-25.86
Dipole, Da:	2.39
IP(EA), eV:	-9.51(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCC3=C(NN=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations