Geometry & MOs

Info

ID:	365386
PubChem CID:	127317785
Reduced:	O2F3N4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	399.263425
ΔH_f, kcal/mol:	-171.81
Dipole, Da:	8.3
IP(EA), eV:	-8.94(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridin-3-yl]-3-(2,4-dimethylcyclohexyl)urea

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C(F)(F)F

DOS

IR

Vibrations