Geometry & MOs

Info

ID:	28659
PubChem CID:	828819
Reduced:	ClN2O2C19H21 (1)
Stoich.:	AB2C2D19E21 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	5.53
IP(EA), eV:	-8.83(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations