Geometry & MOs

Info

ID:	39909
PubChem CID:	8143182
Reduced:	ClNF3O3H17C18 (1)
Stoich.:	ABC3D3E17F18 (1)
Weight, g/mol:	263.199762
ΔH_f, kcal/mol:	-253.74
Dipole, Da:	3.85
IP(EA), eV:	-9.04(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-[(1R)-4-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]ethylideneamino]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C)[C@](C(=O)OC)(C(F)(F)F)NC2=CC=CC=C2Cl

DOS

IR

Vibrations