Geometry & MOs

Info

ID:	234029
PubChem CID:	92297566
Reduced:	NCl2O3F4C7H9 (1)
Stoich.:	AB2C3D4E7F9 (1)
Weight, g/mol:	535.269573
ΔH_f, kcal/mol:	-359.85
Dipole, Da:	6.39
IP(EA), eV:	-10.98(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(1-benzyltetrazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C[C@@](CC(C(F)(F)Cl)(C(F)(F)Cl)O)(C(=O)O)N

DOS

IR

Vibrations