Geometry & MOs

Info

ID:	240989
PubChem CID:	93619081
Reduced:	N2O2C7H16 (1)
Stoich.:	A2B2C7D16 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	-95.85
Dipole, Da:	3.97
IP(EA), eV:	-9.64(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(cyclopropanecarbonylamino)pyrazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)OC[C@H](CC(=N)N)O

DOS

IR

Vibrations