Geometry & MOs

Info

ID:	27642
PubChem CID:	822768
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	282.136828
ΔH_f, kcal/mol:	-104.97
Dipole, Da:	5.99
IP(EA), eV:	-8.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)SC)OC)C(C)C)O

DOS

IR

Vibrations