Geometry & MOs

Info

ID:	40894
PubChem CID:	8144916
Reduced:	ClN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	350.103335
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	12.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774963
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(5-chloro-2,3-dioxoindol-1-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O

DOS

IR

Vibrations