Geometry & MOs

Info

ID:	182367
PubChem CID:	76881183
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	4.01
IP(EA), eV:	-7.86(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[3-(methoxymethyl)anilino]ethylidene]-2,6-dimethylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1C(C(=O)NC(N1)C)C(C)NC2=CC3=C(C=C2)NC=C3

DOS

IR

Vibrations