Geometry & MOs

Info

ID:	51223
PubChem CID:	12013863
Reduced:	N2O3H32C33 (1)
Stoich.:	A2B3C32D33 (1)
Weight, g/mol:	517.236542
ΔH_f, kcal/mol:	-6.14
Dipole, Da:	4.2
IP(EA), eV:	-8.19(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(4-ethoxyphenyl)-7-methyl-4-phenylquinolin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C(C3=C(C=C(C=C3)C)N=C2N(C)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5

DOS

IR

Vibrations