Geometry & MOs

Info

ID:	209388
PubChem CID:	80664092
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	305.12949
ΔH_f, kcal/mol:	30.0
Dipole, Da:	5.36
IP(EA), eV:	-9.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=NC(=CC(=N2)NC)C)C)C#N

DOS

IR

Vibrations