Geometry & MOs

Info

ID:	253169
PubChem CID:	103116488
Reduced:	O2N7C12H13 (1)
Stoich.:	A2B7C12D13 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	39.81
Dipole, Da:	3.82
IP(EA), eV:	-9.67(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylpyrazole-3-carbonyl)amino]hexanoic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CC3=CN=CN3C)C(=O)O

DOS

IR

Vibrations