Geometry & MOs

Info

ID:	40960
PubChem CID:	8145023
Reduced:	N3O4C18H30 (1)
Stoich.:	A3B4C18D30 (1)
Weight, g/mol:	359.197082
ΔH_f, kcal/mol:	-187.04
Dipole, Da:	3.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756586
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)[C@]3(CCCC[C@@H]3C)NC2=O

DOS

IR

Vibrations