Geometry & MOs

Info

ID:	39814
PubChem CID:	8142438
Reduced:	ON3C4H7 (2)
Stoich.:	AB3C4D7 (2)
Weight, g/mol:	381.130026
ΔH_f, kcal/mol:	62.88
Dipole, Da:	6.8
IP(EA), eV:	-9.25(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-3,3,3-trifluoro-2-[(3-methylbenzoyl)amino]-2-[(3-methylpyridin-2-yl)amino]propanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=NN2C)[N+](=O)[O-]

DOS

IR

Vibrations