Geometry & MOs

Info

ID:	61437
PubChem CID:	26709406
Reduced:	N3O5C21H32 (1)
Stoich.:	A3B5C21D32 (1)
Weight, g/mol:	447.236936
ΔH_f, kcal/mol:	-169.07
Dipole, Da:	4.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.299101
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4,5-trimethoxyphenyl)methyl]-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)C[NH+](C)CC3=C(C(=C(C=C3)OC)OC)OC

DOS

IR

Vibrations