Geometry & MOs

Info

ID:	429910
PubChem CID:	135169964
Reduced:	OF3N4H13C16 (1)
Stoich.:	AB3C4D13E16 (1)
Weight, g/mol:	276.097088
ΔH_f, kcal/mol:	-83.39
Dipole, Da:	6.75
IP(EA), eV:	-9.12(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-cyano-5-(methoxyamino)pyridin-2-yl]-1,5-dihydrotriazole-5-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C2=CC=CC=C21)N3C(=C(C=N3)C=O)C(F)(F)F

DOS

IR

Vibrations