Geometry & MOs

Info

ID:	43165
PubChem CID:	10318980
Reduced:	NO8C20H21 (1)
Stoich.:	AB8C20D21 (1)
Weight, g/mol:	403.139287
ΔH_f, kcal/mol:	-271.23
Dipole, Da:	5.24
IP(EA), eV:	-9.08(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2H-benzotriazol-5-ylcarbamoylamino)phenoxy]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C2=CC=CC=C2

DOS

IR

Vibrations