Geometry & MOs

Info

ID:	255875
PubChem CID:	103135341
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	293.10204
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	4.9
IP(EA), eV:	-8.87(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1CCC(O1)C)C2=NN(C=C2)C

DOS

IR

Vibrations