Geometry & MOs

Info

ID:	76135
PubChem CID:	48424490
Reduced:	FNO2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-81.28
Dipole, Da:	2.9
IP(EA), eV:	-9.45(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(CC=C)CC1=CC=CC=C1F)OCC2CC2

DOS

IR

Vibrations