Geometry & MOs

Info

ID:	26500
PubChem CID:	650528
Reduced:	O2N5H17C20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	456.227374
ΔH_f, kcal/mol:	69.07
Dipole, Da:	5.47
IP(EA), eV:	-8.79(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,4-dihydro-2H-quinolin-1-yl-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C(=C1CC3=CC=CC=C3)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations