Geometry & MOs

Info

ID:	253148
PubChem CID:	103116328
Reduced:	O2N5C12H17 (1)
Stoich.:	A2B5C12D17 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-17.94
Dipole, Da:	5.82
IP(EA), eV:	-9.62(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(1-methylpyrazole-3-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC)N1C(=C(N=N1)C(=O)O)C2=NC=CN2C

DOS

IR

Vibrations