Geometry & MOs

Info

ID:	448543
PubChem CID:	135291739
Reduced:	ON2C11H22 (1)
Stoich.:	AB2C11D22 (1)
Weight, g/mol:	525.215824
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	2.78
IP(EA), eV:	-8.46(2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-amino-4-(oxan-4-yloxy)phenyl]-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CCCCN1CCN(CC1)C2COC2

DOS

IR

Vibrations