Geometry & MOs

Info

ID:	255824
PubChem CID:	103134955
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-34.78
Dipole, Da:	1.74
IP(EA), eV:	-8.18(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN(C)C2=CC=C(C=C2)N

DOS

IR

Vibrations