Geometry & MOs

Info

ID:	64793
PubChem CID:	29204006
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	5.48
IP(EA), eV:	-9.54(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-benzylpiperidine-1-carbonyl)-2-prop-2-enylisoindole-1,3-dione

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations