Geometry & MOs

Info

ID:	131011
PubChem CID:	51144342
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-140.19
Dipole, Da:	5.03
IP(EA), eV:	-8.91(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-oxo-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)NC3=C(C=CC(=C3)C)F)C

DOS

IR

Vibrations