Geometry & MOs

Info

ID:	213906
PubChem CID:	81065537
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-172.34
Dipole, Da:	4.52
IP(EA), eV:	-9.88(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1,5-dimethylpyrazole-4-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)CO

DOS

IR

Vibrations