Geometry & MOs

Info

ID:	75441
PubChem CID:	48423477
Reduced:	BrNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-29.58
Dipole, Da:	2.96
IP(EA), eV:	-9.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(CC1=CC(=CC=C1)Br)C2CC2)OCC3CC3

DOS

IR

Vibrations