Geometry & MOs

Info

ID:	127514
PubChem CID:	51004682
Reduced:	BrO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	388.115818
ΔH_f, kcal/mol:	-86.85
Dipole, Da:	1.49
IP(EA), eV:	-10.2(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OC12[C@H]3CC[C@H](C3)C1([C@H]4CC[C@H]2C4)Br

DOS

IR

Vibrations