Geometry & MOs

Info

ID:	159932
PubChem CID:	57298706
Reduced:	O2C9H14 (3)
Stoich.:	A2B9C14 (3)
Weight, g/mol:	524.209137
ΔH_f, kcal/mol:	-302.69
Dipole, Da:	5.26
IP(EA), eV:	-8.7(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(7-chloroquinolin-2-yl)ethenyl]-N-[[2-[1-(2H-tetrazol-5-yl)pentan-2-yloxy]phenyl]methyl]aniline

Drug info:

PubChemData

Smile

C[C@H](C[C@@H](C[C@](C)(C(=O)O)O)O)[C@H]1CCC2[C@@]1(CCCC2=CC=C3C[C@H](C[C@@H](C3=C)O)O)C

DOS

IR

Vibrations