Geometry & MOs

Info

ID:	125828
PubChem CID:	50940892
Reduced:	S2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	331.132077
ΔH_f, kcal/mol:	84.57
Dipole, Da:	1.36
IP(EA), eV:	-8.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(4-acetylphenyl)-6-aminopyrimidin-4-yl]phenyl]ethanone

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=C(C=C3)SC)N

DOS

IR

Vibrations