Geometry & MOs

Info

ID:	37949
PubChem CID:	8025800
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	379.225977
ΔH_f, kcal/mol:	-58.2
Dipole, Da:	7.12
IP(EA), eV:	-8.45(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=C(C=CC=N3)C(=O)O

DOS

IR

Vibrations