Geometry & MOs

Info

ID:	204602
PubChem CID:	79988419
Reduced:	NSC19H29 (1)
Stoich.:	ABC19D29 (1)
Weight, g/mol:	289.186421
ΔH_f, kcal/mol:	-32.65
Dipole, Da:	0.98
IP(EA), eV:	-8.77(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations