Geometry & MOs

Info

ID:	320735
PubChem CID:	126663144
Reduced:	N2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	5.63
IP(EA), eV:	-9.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(8-butyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)benzoate

Drug info:

PubChemData

Smile

C1C[C@@](N(CC1[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)(CO)C3=CC=CC=C3

DOS

IR

Vibrations