Geometry & MOs

Info

ID:	289447
PubChem CID:	104354095
Reduced:	ON2C17H30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	353.08128
ΔH_f, kcal/mol:	-89.51
Dipole, Da:	3.03
IP(EA), eV:	-9.13(1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-(3-methyl-1-adamantyl)methanamine

Drug info:

PubChemData

Smile

CC(CN)CN(C)C(=O)C12CC3CC(C1)CC(C3)(C2)C

DOS

IR

Vibrations