Geometry & MOs

Info

ID:	328642
PubChem CID:	126726203
Reduced:	S2N3H13C19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	331.120843
ΔH_f, kcal/mol:	123.46
Dipole, Da:	3.43
IP(EA), eV:	-8.43(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-[[[4-(2-phenylethynyl)phenyl]methylamino]methyl]pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C2=NC=CC(=C2)C3=CC4=C(S3)C=C5C(=C4)C=CS5

DOS

IR

Vibrations