Geometry & MOs

Info

ID:	75294
PubChem CID:	48423295
Reduced:	N2O5C21H32 (1)
Stoich.:	A2B5C21D32 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-169.51
Dipole, Da:	6.22
IP(EA), eV:	-8.59(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC(C1=CC(=C(C=C1)OC)OC)N2CCOCC2)OCC3CC3

DOS

IR

Vibrations