Geometry & MOs

Info

ID:	253183
PubChem CID:	103116600
Reduced:	O3N4C14H16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-61.8
Dipole, Da:	5.37
IP(EA), eV:	-9.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1CCN(C(C1)CC(=O)O)C(=O)C2=C3C=NC=CN3N=C2

DOS

IR

Vibrations