Geometry & MOs

Info

ID:	271550
PubChem CID:	103683300
Reduced:	O4N6C11H12 (1)
Stoich.:	A4B6C11D12 (1)
Weight, g/mol:	246.122441
ΔH_f, kcal/mol:	-37.52
Dipole, Da:	10.65
IP(EA), eV:	-10.3(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylsulfanylcyclohexyl)-3-propylthiourea

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CN3C=C(C(=O)NC3=O)[N+](=O)[O-])C1

DOS

IR

Vibrations