Geometry & MOs

Info

ID:	186361
PubChem CID:	77424808
Reduced:	O3N7C14H23 (1)
Stoich.:	A3B7C14D23 (1)
Weight, g/mol:	366.237939
ΔH_f, kcal/mol:	-75.89
Dipole, Da:	3.85
IP(EA), eV:	-9.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1-aminohexyl)triazol-1-yl]-5-oxo-5-piperazin-1-ylpentanoic acid

Drug info:

PubChemData

Smile

CC(=O)CC(C1=CN(N=N1)C(CC(=O)N)C(=O)N2CCNCC2)N

DOS

IR

Vibrations