Geometry & MOs

Info

ID:	373032
PubChem CID:	131308819
Reduced:	SN2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	285.9953
ΔH_f, kcal/mol:	41.23
Dipole, Da:	3.42
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-2-(hydroxymethyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NSC(=C2)CCN)C

DOS

IR

Vibrations