Geometry & MOs

Info

ID:	10737
PubChem CID:	107524
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	-24.32
Dipole, Da:	3.94
IP(EA), eV:	-8.8(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-dimethyl-4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CC(N(C(C1)C)CC=CC2=CC=CC=C2)C

DOS

IR

Vibrations