Geometry & MOs

Info

ID:	198541
PubChem CID:	79116424
Reduced:	NOH17C19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	18.31
Dipole, Da:	4.3
IP(EA), eV:	-9.35(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2CC1(C#N)C3(CC4=CC=CC=C4C3)O

DOS

IR

Vibrations