Geometry & MOs

Info

ID:	252384
PubChem CID:	103111013
Reduced:	ON5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	23.51
Dipole, Da:	7.25
IP(EA), eV:	-8.77(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-amino-2-methylphenyl)methylamino]-2-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations