Geometry & MOs

Info

ID:	292407
PubChem CID:	115001296
Reduced:	ClON4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	238.062139
ΔH_f, kcal/mol:	49.11
Dipole, Da:	6.56
IP(EA), eV:	-9.5(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-1,2,4-triazin-5-amine

Drug info:

PubChemData

Smile

CCN(CC1=CC=CO1)C2=CN=NC(=N2)Cl

DOS

IR

Vibrations