Geometry & MOs

Info

ID:	388334
PubChem CID:	134988832
Reduced:	N3H13C14 (1)
Stoich.:	A3B13C14 (1)
Weight, g/mol:	230.024895
ΔH_f, kcal/mol:	89.41
Dipole, Da:	2.27
IP(EA), eV:	-9.89(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(2-hydroxythiophen-1-ylidene)propanedioate

Drug info:

PubChemData

Smile

C1CN=CC1(C2=CN=CC=C2)C3=CN=CC=C3

DOS

IR

Vibrations