Geometry & MOs

Info

ID:	66473
PubChem CID:	46504639
Reduced:	N3O6C24H25 (1)
Stoich.:	A3B6C24D25 (1)
Weight, g/mol:	437.11028
ΔH_f, kcal/mol:	-172.1
Dipole, Da:	6.26
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-bromophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)NCC4CCCO4)OC

DOS

IR

Vibrations