Geometry & MOs

Info

ID:	448370
PubChem CID:	135290455
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	391.141973
ΔH_f, kcal/mol:	27.46
Dipole, Da:	7.06
IP(EA), eV:	-8.27(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=C(N=C1)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=C(C=C3)OCC#C)OC

DOS

IR

Vibrations