Geometry & MOs

Info

ID:	407709
PubChem CID:	135080464
Reduced:	OC6H8 (2)
Stoich.:	AB6C8 (2)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-68.11
Dipole, Da:	4.33
IP(EA), eV:	-9.57(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1-ethylpyrrolo[2,3-b]pyridin-4-yl)amino]propanoate

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2=C(C=CO2)C=O

DOS

IR

Vibrations