Geometry & MOs

Info

ID:	198713
PubChem CID:	79140099
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	271.095691
ΔH_f, kcal/mol:	-86.93
Dipole, Da:	6.92
IP(EA), eV:	-9.54(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-(1H-pyrazol-5-yl)acetyl]amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CNC(=O)CC2=CC=NN2)O

DOS

IR

Vibrations