Geometry & MOs

Info

ID:	385459
PubChem CID:	134979146
Reduced:	BBrC14H24 (1)
Stoich.:	ABC14D24 (1)
Weight, g/mol:	166.135765
ΔH_f, kcal/mol:	-38.7
Dipole, Da:	2.39
IP(EA), eV:	-9.59(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4R)-2-(1-methoxycyclopropyl)bicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

B1(C2CCCC1CCC2)/C(=C/Br)/CCCC

DOS

IR

Vibrations