Geometry & MOs

Info

ID:	198543
PubChem CID:	79116556
Reduced:	OF2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-127.36
Dipole, Da:	3.84
IP(EA), eV:	-8.94(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-methyl-1-[4-(methylamino)cyclohexyl]urea

Drug info:

PubChemData

Smile

CNC1CCC(CC1)N(C)C(=O)NC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations