Geometry & MOs

Info

ID:	5558
PubChem CID:	13329
Reduced:	ON2C22H30 (1)
Stoich.:	AB2C22D30 (1)
Weight, g/mol:	338.235814
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	2.4
IP(EA), eV:	-8.12(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxy-3-phenylpropyl)-4-(3-methylphenyl)piperazine

Drug info:

PubChemData

Smile

CCOC(CCN1CCN(CC1)C2=CC=CC(=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations