Geometry & MOs

Info

ID:	40961
PubChem CID:	8145025
Reduced:	N2O4C20H27 (1)
Stoich.:	A2B4C20D27 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-143.72
Dipole, Da:	7.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786632
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2,3-dioxo-5-propan-2-ylindol-1-yl)methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations