Geometry & MOs

Info

ID:	340538
PubChem CID:	127262549
Reduced:	NO3H13C14 (1)
Stoich.:	AB3C13D14 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-71.51
Dipole, Da:	7.58
IP(EA), eV:	-9.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 1H-pyrrolo[2,3-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COC(=O)C2=CNC=C2)C=O

DOS

IR

Vibrations