Geometry & MOs

Info

ID:	30536
PubChem CID:	841464
Reduced:	ON3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	228.035734
ΔH_f, kcal/mol:	-7.68
Dipole, Da:	4.06
IP(EA), eV:	-8.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzothiophen-3-yl(pyrazol-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN2CCC1[C@H](C2)NC(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations