Geometry & MOs

Info

ID:	149466
PubChem CID:	53789139
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	316.193949
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	3.07
IP(EA), eV:	-9.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine

Drug info:

PubChemData

Smile

COCCC1=C(C=C(C=C1OC)CC(C=NC2=CC=CC=C2)C#N)OC

DOS

IR

Vibrations