Geometry & MOs

Info

ID:	429007
PubChem CID:	135168661
Reduced:	ClN2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	246.209599
ΔH_f, kcal/mol:	-9.18
Dipole, Da:	1.61
IP(EA), eV:	-8.67(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-methyl-1-[2-(2-propylphenyl)ethyl]piperazine

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)Cl)CCN2CCN[C@H](C2)C

DOS

IR

Vibrations