Geometry & MOs

Info

ID:	40945
PubChem CID:	8144998
Reduced:	N3O4C23H28 (1)
Stoich.:	A3B4C23D28 (1)
Weight, g/mol:	394.270582
ΔH_f, kcal/mol:	-123.85
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.067169
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CC[NH+](CC1)CN2C(=O)[C@](NC2=O)(C)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations