Geometry & MOs

Info

ID:	262430
PubChem CID:	103292916
Reduced:	ClO3N4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	306.124739
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	6.17
IP(EA), eV:	-9.33(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-methoxyphenyl)methyl]-5,6-diethyl-1,2,4-triazin-3-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC2=NC(=NC(=N2)OC)OC

DOS

IR

Vibrations