Geometry & MOs

Info

ID:	20715
PubChem CID:	585352
Reduced:	BrO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	356.13509
ΔH_f, kcal/mol:	-149.67
Dipole, Da:	2.56
IP(EA), eV:	-10.23(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)ethyl 6-bromohexanoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CCOC(=O)CCCCCBr

DOS

IR

Vibrations