Geometry & MOs

Info

ID:	387920
PubChem CID:	134987406
Reduced:	BNOF4C8H16 (1)
Stoich.:	ABCD4E8F16 (1)
Weight, g/mol:	387.02315
ΔH_f, kcal/mol:	-413.62
Dipole, Da:	11.58
IP(EA), eV:	-11.22(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(bromomethyl)-1-tert-butyl-4,4-diethoxy-2,3-dihydropyrrol-1-ium;bromide

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCC(=O)CC(=[N+](C)C)C

DOS

IR

Vibrations