Geometry & MOs

Info

ID:	253186
PubChem CID:	103116655
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	211.095691
ΔH_f, kcal/mol:	-85.43
Dipole, Da:	5.93
IP(EA), eV:	-9.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)O)NC(=O)C1=C2C=CC=CN2N=C1

DOS

IR

Vibrations