Geometry & MOs

Info

ID:	213722
PubChem CID:	81064778
Reduced:	SN3O3C12H19 (1)
Stoich.:	AB3C3D12E19 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-106.87
Dipole, Da:	2.99
IP(EA), eV:	-9.96(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2H-benzotriazole-5-carbonylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(N=NS1)C(C)C

DOS

IR

Vibrations