Geometry & MOs

Info

ID:	225161
PubChem CID:	85747751
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-119.68
Dipole, Da:	5.45
IP(EA), eV:	-10.01(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-diethoxy-1-[3-(methoxymethyl)quinolin-2-yl]hex-2-en-1-one

Drug info:

PubChemData

Smile

CC(=O)C(C(C1=CC=CC=C1)NC(=O)C)C(=O)C

DOS

IR

Vibrations