Geometry & MOs

Info

ID:	154903
PubChem CID:	56314451
Reduced:	N2O2C23H30 (1)
Stoich.:	A2B2C23D30 (1)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	2.28
IP(EA), eV:	-9.29(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dioxo-2-(oxolan-2-ylmethyl)-N-(3-phenylbutyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC(C(C)C)C(=O)NCCC(C)C2=CC=CC=C2

DOS

IR

Vibrations