Geometry & MOs

Info

ID:	342477
PubChem CID:	127265632
Reduced:	FSN2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	4.67
IP(EA), eV:	-9.17(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-methyl-3-phenylprop-2-enyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)S(=O)(=O)N)N(C)CC=CC2=CC=C(C=C2)F

DOS

IR

Vibrations