Geometry & MOs

Info

ID:	204600
PubChem CID:	79988417
Reduced:	NSC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	237.155121
ΔH_f, kcal/mol:	-10.58
Dipole, Da:	1.98
IP(EA), eV:	-8.92(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylcyclopentyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations