Geometry & MOs

Info

ID:	358416
PubChem CID:	127295961
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	374.256943
ΔH_f, kcal/mol:	-68.57
Dipole, Da:	4.19
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(S1)C=C(C=C2)NC(=O)N(C)CC3CCCOC3

DOS

IR

Vibrations