Geometry & MOs

Info

ID:	213146
PubChem CID:	81063017
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-203.19
Dipole, Da:	6.3
IP(EA), eV:	-9.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-ethyl-2-methylpyrazole-3-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCNC(=O)C1=CC=CO1

DOS

IR

Vibrations