Geometry & MOs

Info

ID:	46227
PubChem CID:	10523392
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	373.222623
ΔH_f, kcal/mol:	-132.46
Dipole, Da:	9.05
IP(EA), eV:	-8.25(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC\1=CC(=O)N/C1=C\C2=CC=C(N2)CCCCCC(=O)N3CCOCC3

DOS

IR

Vibrations