Geometry & MOs

Info

ID:	131288
PubChem CID:	51186987
Reduced:	N2O3C21H22 (1)
Stoich.:	A2B3C21D22 (1)
Weight, g/mol:	398.174276
ΔH_f, kcal/mol:	-86.31
Dipole, Da:	3.35
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CCNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations