Geometry & MOs

Info

ID:	30953
PubChem CID:	853901
Reduced:	NOSH11C14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	10.06
Dipole, Da:	3.98
IP(EA), eV:	-8.96(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3SC2=O

DOS

IR

Vibrations