Geometry & MOs

Info

ID:	356065
PubChem CID:	127291101
Reduced:	FN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	323.220892
ΔH_f, kcal/mol:	-118.82
Dipole, Da:	5.66
IP(EA), eV:	-8.83(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexanecarbonyl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCC3=C2C=C(C=C3)F

DOS

IR

Vibrations