Geometry & MOs

Info

ID:	134556
PubChem CID:	51714242
Reduced:	NO4C21H28 (1)
Stoich.:	AB4C21D28 (1)
Weight, g/mol:	445.163771
ΔH_f, kcal/mol:	-128.75
Dipole, Da:	0.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.909400
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(furan-2-yl)ethylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)C[C@@H](COC2=CC=CC3=CC=CC=C32)O

DOS

IR

Vibrations