Geometry & MOs

Info

ID:	399524
PubChem CID:	135040746
Reduced:	BBrNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	153.078979
ΔH_f, kcal/mol:	-129.67
Dipole, Da:	9.3
IP(EA), eV:	-9.02(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,8S)-1-hydroxy-2-methylidene-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one

Drug info:

PubChemData

Smile

[B-]12([NH+](CCO1)CCO2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations