Geometry & MOs

Info

ID:	374194
PubChem CID:	131325307
Reduced:	ON2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	271.05718
ΔH_f, kcal/mol:	-52.18
Dipole, Da:	0.73
IP(EA), eV:	-9.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-7-tert-butyl-2-methyl-6,7-dihydro-4H-pyrano[3,4-c]pyrrole

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=CNC(=O)C=N2)CN

DOS

IR

Vibrations