Geometry & MOs

Info

ID:	133949
PubChem CID:	51618293
Reduced:	SN3O5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	447.184418
ΔH_f, kcal/mol:	-69.78
Dipole, Da:	5.08
IP(EA), eV:	-9.23(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-(4-propylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)NNC(=O)[C@H](C)SC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations