Geometry & MOs

Info

ID:	195443
PubChem CID:	78686469
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	372.204907
ΔH_f, kcal/mol:	-116.29
Dipole, Da:	3.25
IP(EA), eV:	-8.57(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations