Geometry & MOs

Info

ID:	252367
PubChem CID:	103110849
Reduced:	O4N5C12H17 (1)
Stoich.:	A4B5C12D17 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-121.54
Dipole, Da:	5.82
IP(EA), eV:	-10.26(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-4-propoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCN2C(=O)CCC2=O)CN

DOS

IR

Vibrations