Geometry & MOs

Info

ID:	343500
PubChem CID:	127266673
Reduced:	F2O3N5C12H13 (1)
Stoich.:	A2B3C5D12E13 (1)
Weight, g/mol:	288.133474
ΔH_f, kcal/mol:	-129.06
Dipole, Da:	1.49
IP(EA), eV:	-9.75(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-but-3-enyltriazol-4-yl)methyl]-4-methyl-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCC2=NC(=NO2)C(F)F

DOS

IR

Vibrations