Geometry & MOs

Info

ID:	252373
PubChem CID:	103110881
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-16.11
Dipole, Da:	7.98
IP(EA), eV:	-8.66(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-6-propoxypyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=CC(=C(C=C2)C(=O)N)Cl

DOS

IR

Vibrations