Geometry & MOs

Info

ID:	262031
PubChem CID:	103266899
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	3.04
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(=C)CNC1CCC(C1)C

DOS

IR

Vibrations