Geometry & MOs

Info

ID:	141905
PubChem CID:	52949076
Reduced:	ClN3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	441.18009
ΔH_f, kcal/mol:	6.73
Dipole, Da:	3.53
IP(EA), eV:	-8.64(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-6-(2-methyl-6-phenylanilino)-1H-1,3,5-triazin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=NCCN2.Cl

DOS

IR

Vibrations