Geometry & MOs

Info

ID:	275754
PubChem CID:	103817423
Reduced:	ON2C4H7 (2)
Stoich.:	AB2C4D7 (2)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-66.48
Dipole, Da:	2.64
IP(EA), eV:	-8.98(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(CNC1=CC(=NC(=N1)N)OC)O

DOS

IR

Vibrations