Geometry & MOs

Info

ID:	26835
PubChem CID:	799226
Reduced:	BrN2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	270.11907
ΔH_f, kcal/mol:	-89.59
Dipole, Da:	2.06
IP(EA), eV:	-9.33(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(2,3-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC(=O)NNC(=O)C1=C(C=CC(=C1)Br)O

DOS

IR

Vibrations