Geometry & MOs

Info

ID:	234150
PubChem CID:	92297824
Reduced:	ON6H32C34 (1)
Stoich.:	AB6C32D34 (1)
Weight, g/mol:	532.204531
ΔH_f, kcal/mol:	136.52
Dipole, Da:	7.54
IP(EA), eV:	-9.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(1-benzyltetrazol-5-yl)-[benzyl(thiophen-2-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@H](C3=NN=NN3CC4=CC=CC=C4)N(CCC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations