Geometry & MOs

Info

ID:	255825
PubChem CID:	103134957
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	271.114319
ΔH_f, kcal/mol:	61.49
Dipole, Da:	1.66
IP(EA), eV:	-8.59(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-benzothiophen-2-yl-(1-methylpyrazol-3-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCNC(C1=NN(C=C1)C)C2=CC3=C(S2)CCC3

DOS

IR

Vibrations