Geometry & MOs

Info

ID:	247251
PubChem CID:	103069172
Reduced:	NOC7H13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	307.181526
ΔH_f, kcal/mol:	-98.25
Dipole, Da:	2.43
IP(EA), eV:	-8.75(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCNCC(=C)CN1CCC(CC1)C(=O)OCC

DOS

IR

Vibrations