Geometry & MOs

Info

ID:	38949
PubChem CID:	8138220
Reduced:	O2N6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	35.38
Dipole, Da:	3.08
IP(EA), eV:	-9.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-1,3-dioxo-N'-(1H-pyrrole-2-carbonyl)isoindole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=NC(=NC(=N4)N)N

DOS

IR

Vibrations