Geometry & MOs

Info

ID:	48233
PubChem CID:	10538159
Reduced:	ClN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	242.039295
ΔH_f, kcal/mol:	-42.19
Dipole, Da:	10.5
IP(EA), eV:	-8.55(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(N'-methylcarbamimidoyl)thiourea

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)OC(=O)C)OC)[N+]#N.[Cl-]

DOS

IR

Vibrations