Geometry & MOs

Info

ID:	323856
PubChem CID:	126676358
Reduced:	O2N8C21H28 (1)
Stoich.:	A2B8C21D28 (1)
Weight, g/mol:	240.112344
ΔH_f, kcal/mol:	18.11
Dipole, Da:	4.31
IP(EA), eV:	-8.2(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)pyridine-2,6-diamine

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=C(C=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations