Geometry & MOs

Info

ID:	320714
PubChem CID:	126663013
Reduced:	ClNC14H18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	580.326085
ΔH_f, kcal/mol:	4.8
Dipole, Da:	2.34
IP(EA), eV:	-8.15(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[[5-[2-(diethylamino)-2-oxoethoxy]carbonylcyclohexa-2,4-dien-1-yl]methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

CC1(C(=C)N(C2=CC=CC=C21)CCCCl)C

DOS

IR

Vibrations