Geometry & MOs

Info

ID:	440819
PubChem CID:	135231656
Reduced:	FO2N7C27H34 (1)
Stoich.:	AB2C7D27E34 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-11.08
Dipole, Da:	3.96
IP(EA), eV:	-8.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[4-[2-[(Z)-prop-1-enyl]phenyl]piperazin-1-yl]butoxy]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC(=NCC1=CC(=NC=C1)N2CCC(CC2)(C)C)N=C(C3=NC(=NO3)C4=CC=C(C=C4)OC(C)(C)F)N

DOS

IR

Vibrations