Geometry & MOs

Info

ID:	209111
PubChem CID:	80626325
Reduced:	NSC17H25 (1)
Stoich.:	ABC17D25 (1)
Weight, g/mol:	225.129969
ΔH_f, kcal/mol:	-11.06
Dipole, Da:	3.32
IP(EA), eV:	-8.45(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylpyrazol-3-yl)-(thiolan-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(CC1=CC2=C(CCC2)C=C1)C3CCCS3

DOS

IR

Vibrations