Geometry & MOs

Info

ID:	204601
PubChem CID:	79988418
Reduced:	NSC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	303.202071
ΔH_f, kcal/mol:	-8.19
Dipole, Da:	2.62
IP(EA), eV:	-8.47(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-adamantyl)-1-(3-methylthiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCC1CCC(C1)C(C2=C(C=CS2)C)NC

DOS

IR

Vibrations