Geometry & MOs

Info

ID:	30654
PubChem CID:	841625
Reduced:	NOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-17.88
Dipole, Da:	6.5
IP(EA), eV:	-8.11(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=S)N2CCCCCC2

DOS

IR

Vibrations