Geometry & MOs

Info

ID:	30912
PubChem CID:	853767
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	248.13472
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	6.09
IP(EA), eV:	-8.73(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-1-methyl-3-phenylthiourea

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations