Geometry & MOs

Info

ID:	253255
PubChem CID:	103117154
Reduced:	N4O5C14H24 (1)
Stoich.:	A4B5C14D24 (1)
Weight, g/mol:	253.142641
ΔH_f, kcal/mol:	-202.73
Dipole, Da:	6.62
IP(EA), eV:	-9.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3-[(1-methylpyrazole-3-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCC1=C(N=NN1CCCOC)C(=O)O

DOS

IR

Vibrations