Geometry & MOs

Info

ID:	152135
PubChem CID:	56311000
Reduced:	N2O5C25H32 (1)
Stoich.:	A2B5C25D32 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-168.71
Dipole, Da:	1.98
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(COC3=C(C=C(C=C3)C(=O)C)OC)O

DOS

IR

Vibrations