Geometry & MOs

Info

ID:	275758
PubChem CID:	103817437
Reduced:	ON6C13H20 (1)
Stoich.:	AB6C13D20 (1)
Weight, g/mol:	258.148061
ΔH_f, kcal/mol:	10.85
Dipole, Da:	2.53
IP(EA), eV:	-8.98(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCNC2=CC(=NC(=N2)N)OC)C

DOS

IR

Vibrations