Geometry & MOs

Info

ID:	397274
PubChem CID:	135029983
Reduced:	N3C10H10 (2)
Stoich.:	A3B10C10 (2)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	118.96
Dipole, Da:	4.78
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dimethoxyphenyl)methyl]-4-N-(4-methoxyphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)NC2=CC=C(C=C2)C#N)CCC3=CC=CC=C3

DOS

IR

Vibrations