Geometry & MOs

Info

ID:	260687
PubChem CID:	103200066
Reduced:	NO2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-101.27
Dipole, Da:	6.99
IP(EA), eV:	-9.39(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-oxobut-3-enoic acid

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)C(=O)O)OC)C

DOS

IR

Vibrations