Geometry & MOs

Info

ID:	286916
PubChem CID:	104223524
Reduced:	NOC4H5 (3)
Stoich.:	ABC4D5 (3)
Weight, g/mol:	287.072848
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	5.61
IP(EA), eV:	-9.16(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-5-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CN(CCO1)C2=NC=C(C=N2)/C=C/C(=O)O

DOS

IR

Vibrations