Geometry & MOs

Info

ID:	162291
PubChem CID:	57394200
Reduced:	ClN2O2C17H19 (2)
Stoich.:	AB2C2D17E19 (2)
Weight, g/mol:	431.140055
ΔH_f, kcal/mol:	-114.05
Dipole, Da:	4.94
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2-phenoxy-1-phenylindol-3-yl)-piperazin-1-ylmethanone

Drug info:

PubChemData

Smile

CCNC(=O)CC1=CC(=C(C=C1)Cl)CN(C2CC2)C(=O)[C@H]3CNCC(=O)N3C4=CC=C(C=C4)CCCOC5=CC(=CC=C5)Cl

DOS

IR

Vibrations