Geometry & MOs

Info

ID:	196251
PubChem CID:	78803019
Reduced:	ClFOSN2C16H16 (1)
Stoich.:	ABCDE2F16G16 (1)
Weight, g/mol:	303.165686
ΔH_f, kcal/mol:	-37.49
Dipole, Da:	3.76
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-(thiophen-2-ylmethyl)adamantane-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=C(C=CC=C2Cl)F)C(=O)C3=CSC=C3

DOS

IR

Vibrations