Geometry & MOs

Info

ID:	289814
PubChem CID:	104374832
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	191.117095
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	3.12
IP(EA), eV:	-9.57(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2H-benzotriazol-5-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=C2C=NN(C2=NC=C1C(=O)O)C

DOS

IR

Vibrations