Geometry & MOs

Info

ID:	126620
PubChem CID:	50970304
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	4.62
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(hexanoylamino)acetic acid

Drug info:

PubChemData

Smile

CC1=NN2CCN(CC2=C1)C(=O)C3=C(NC(=C3C)C(=O)C)C

DOS

IR

Vibrations