Geometry & MOs

Info

ID:	195169
PubChem CID:	78649801
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	344.09277
ΔH_f, kcal/mol:	-80.32
Dipole, Da:	10.09
IP(EA), eV:	-9.2(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxypropan-2-yl 3-(2-chloro-7-methylquinolin-3-yl)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CC(COC)OC(=O)C(=CC1=C(N=C2C=CC(=CC2=C1)OC)Cl)C#N

DOS

IR

Vibrations