Geometry & MOs

Info

ID:	41104
PubChem CID:	8145246
Reduced:	IN3H12C17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	400.247441
ΔH_f, kcal/mol:	129.92
Dipole, Da:	2.32
IP(EA), eV:	-8.94(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)/C(=C\C3=CC(=CC=C3)I)/C#N

DOS

IR

Vibrations