Geometry & MOs

Info

ID:	40953
PubChem CID:	8145013
Reduced:	N3O5C20H28 (1)
Stoich.:	A3B5C20D28 (1)
Weight, g/mol:	389.195071
ΔH_f, kcal/mol:	-179.82
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758091
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[(4S)-4-(3-methoxyphenyl)-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=CC(=CC=C3)OC

DOS

IR

Vibrations