Geometry & MOs

Info

ID:

31193

PubChem CID:

855079

Reduced:

ClNC15H15 (1)

Stoich.:

ABC15D15 (1)

Weight, g/mol:

194.08777

ΔHf, kcal/mol:

46.51

Dipole, Da:

5.64

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.394000

Charge, e:

 0

Chem-info

IUPAC name:

3-benzyl-1,1-dimethylthiourea

Drug info:

PubChemData

Smile

CC[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations