Geometry & MOs

Info

ID:	251635
PubChem CID:	103105526
Reduced:	FO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	289.117489
ΔH_f, kcal/mol:	-43.39
Dipole, Da:	2.39
IP(EA), eV:	-10.46(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[3-(methylamino)-3-oxopropyl]-5-pyridin-4-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CCCF)C2=CC=NC=C2

DOS

IR

Vibrations