Geometry & MOs

Info

ID:	213976
PubChem CID:	81065613
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	5.32
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-carbamoyl-2,5-dimethylpyrazol-3-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)NCC(C)CC(=O)O)CC

DOS

IR

Vibrations