Geometry & MOs

Info

ID:	194015
PubChem CID:	78468624
Reduced:	N2O4C18H27 (1)
Stoich.:	A2B4C18D27 (1)
Weight, g/mol:	393.181432
ΔH_f, kcal/mol:	-144.05
Dipole, Da:	5.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.203424
Charge, e:	1

Chem-info

IUPAC name:

3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-(2-oxo-4-phenylbut-3-enyl)indol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NCC(C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

DOS

IR

Vibrations