Geometry & MOs

Info

ID:	204603
PubChem CID:	79988420
Reduced:	NSC18H27 (1)
Stoich.:	ABC18D27 (1)
Weight, g/mol:	303.202071
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	1.91
IP(EA), eV:	-8.86(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(CC23CC4CC(C2)CC(C4)C3)NC

DOS

IR

Vibrations