Geometry & MOs

Info

ID:	307587
PubChem CID:	125307611
Reduced:	N2O5C15H18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	417.101082
ΔH_f, kcal/mol:	-183.34
Dipole, Da:	3.66
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-2H-indol-3-yl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1C(=O)C2=CC(=C(C=C2NC1=O)OC)OC

DOS

IR

Vibrations