Geometry & MOs

Info

ID:	299924
PubChem CID:	117948489
Reduced:	NCl2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	389.139386
ΔH_f, kcal/mol:	-37.82
Dipole, Da:	2.25
IP(EA), eV:	-9.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-6-methoxy-4-prop-1-ynylphenyl)-8-methoxy-1-methyl-1-azaspiro[4.5]decane-2,4-dione

Drug info:

PubChemData

Smile

CC#CC1=CC(=C(C(=C1)Cl)C2C(=O)C3(CCCC3)N(C2=O)C)Cl

DOS

IR

Vibrations