Geometry & MOs

Info

ID:	75203
PubChem CID:	48423169
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-71.66
Dipole, Da:	2.31
IP(EA), eV:	-9.0(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCN(CC2)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations