Geometry & MOs

Info

ID:	342675
PubChem CID:	127265835
Reduced:	ClOSN2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	289.007661
ΔH_f, kcal/mol:	20.62
Dipole, Da:	4.13
IP(EA), eV:	-9.51(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorothiophen-2-yl)ethenyl]-1H-pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CN=C(NC1=O)C=CC2=C(C=CS2)Cl

DOS

IR

Vibrations