Geometry & MOs

Info

ID:	359429
PubChem CID:	127298566
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	383.243359
ΔH_f, kcal/mol:	-17.03
Dipole, Da:	3.83
IP(EA), eV:	-8.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CN2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations