Geometry & MOs

Info

ID:	289453
PubChem CID:	104354782
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	391.97679
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	5.3
IP(EA), eV:	-9.04(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bromo-(3-methyl-1-adamantyl)methyl]-2,5-dichlorothiophene

Drug info:

PubChemData

Smile

CC1CC(CN1C(=O)C23CC4CC(C2)CC(C4)(C3)C)CN

DOS

IR

Vibrations