Geometry & MOs

Info

ID:	184121
PubChem CID:	77113144
Reduced:	N5C12H13 (1)
Stoich.:	A5B12C13 (1)
Weight, g/mol:	307.054611
ΔH_f, kcal/mol:	118.73
Dipole, Da:	12.64
IP(EA), eV:	-8.2(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(2-chlorophenyl)sulfanylmethyl]-5-propan-2-ylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C(=C2N=C3C=CN=CC3=N2)C=C(N1)C

DOS

IR

Vibrations