Geometry & MOs

Info

ID:	172669
PubChem CID:	75538665
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-38.43
Dipole, Da:	4.18
IP(EA), eV:	-9.38(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CN(CC1=CC=CS1)C(=O)C2(CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations