Geometry & MOs

Info

ID:	359427
PubChem CID:	127298564
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	355.212058
ΔH_f, kcal/mol:	-67.78
Dipole, Da:	5.34
IP(EA), eV:	-8.68(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[(1-methyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(C1)CNC(=O)CN2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations