Geometry & MOs

Info

ID:	171754
PubChem CID:	75423296
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	368.159221
ΔH_f, kcal/mol:	70.14
Dipole, Da:	7.11
IP(EA), eV:	-9.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-N-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCC(CC#C)NC(=O)C1=CC=CC=C1CN2C=NC=N2

DOS

IR

Vibrations