Geometry & MOs

Info

ID:	28408
PubChem CID:	827420
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	283.089167
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	3.64
IP(EA), eV:	-9.77(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzotriazol-1-ylmethyl)-3-phenylthiourea

Drug info:

PubChemData

Smile

CCN(C(=O)C1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations