Geometry & MOs

Info

ID:	76080
PubChem CID:	48424401
Reduced:	NO3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	350.256943
ΔH_f, kcal/mol:	-78.88
Dipole, Da:	4.94
IP(EA), eV:	-8.82(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N(CC=C)CC1=CC=C(C=C1)OC)OCC2CC2

DOS

IR

Vibrations