Geometry & MOs

Info

ID:	216087
PubChem CID:	85085690
Reduced:	BrNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-105.91
Dipole, Da:	1.59
IP(EA), eV:	-10.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,6-tris(hydroxymethyl)cycloocta-1,3,5,7-tetraen-1-yl]methanol

Drug info:

PubChemData

Smile

COC(=O)C(CCCCBr)N

DOS

IR

Vibrations