Geometry & MOs

Info

ID:	134244
PubChem CID:	51667378
Reduced:	NO2C6H7 (3)
Stoich.:	AB2C6D7 (3)
Weight, g/mol:	507.254221
ΔH_f, kcal/mol:	-127.34
Dipole, Da:	10.88
IP(EA), eV:	-8.67(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(1S)-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]-(thiophen-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

CC[C@@H](C)OC1=C(C=C(C=C1)/C=C\C2=NC(=C(C(=O)N2)[N+](=O)[O-])O)OCC

DOS

IR

Vibrations