Geometry & MOs

Info

ID:	411912
PubChem CID:	135084768
Reduced:	C17H18 (1)
Stoich.:	A17B18 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	69.28
Dipole, Da:	1.61
IP(EA), eV:	-8.83(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(1-methylpyrrolo[2,3-b]pyridin-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C/C(=C\C1=C(CCCC1)C#C)/C2=CC=CC=C2

DOS

IR

Vibrations