Geometry & MOs

Info

ID:	40884
PubChem CID:	8144902
Reduced:	N3O4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-151.68
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757647
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)[C@](NC2=O)(C)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations