Geometry & MOs

Info

ID:	140168
PubChem CID:	52657177
Reduced:	SO2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	318.230728
ΔH_f, kcal/mol:	-23.91
Dipole, Da:	5.99
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[(2-methylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)CCC3=NC=C(O3)C4=CC=CC=C4

DOS

IR

Vibrations