Geometry & MOs

Info

ID:	196084
PubChem CID:	78776618
Reduced:	SO2N3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	399.158292
ΔH_f, kcal/mol:	-19.8
Dipole, Da:	8.62
IP(EA), eV:	-8.25(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(furan-2-yl)quinolin-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC2CCCO2)C)/C=C(\C#N)/C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations