Geometry & MOs

Info

ID:	170219
PubChem CID:	75208857
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	395.173273
ΔH_f, kcal/mol:	28.43
Dipole, Da:	3.17
IP(EA), eV:	-8.81(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC2CCN(CC2)C(C)C3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations