Geometry & MOs

Info

ID:	132282
PubChem CID:	51336470
Reduced:	OSN3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	32.5
Dipole, Da:	5.13
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CSCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations