Geometry & MOs

Info

ID:	64523
PubChem CID:	29202757
Reduced:	N5O5C22H31 (1)
Stoich.:	A5B5C22D31 (1)
Weight, g/mol:	302.126657
ΔH_f, kcal/mol:	-227.11
Dipole, Da:	8.22
IP(EA), eV:	-9.27(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)N

DOS

IR

Vibrations