Geometry & MOs

Info

ID:	405821
PubChem CID:	135075581
Reduced:	OC17H28 (1)
Stoich.:	AB17C28 (1)
Weight, g/mol:	302.0266
ΔH_f, kcal/mol:	-49.39
Dipole, Da:	2.82
IP(EA), eV:	-9.53(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(5-bromo-1-oxidopyridin-1-ium-3-yl)methyl]carbamate

Drug info:

PubChemData

Smile

C/C=C/C(C)(C)/C=C/C(=O)C(C)CCCC(=C)C

DOS

IR

Vibrations