Geometry & MOs

Info

ID:	245951
PubChem CID:	103031056
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	285.129969
ΔH_f, kcal/mol:	51.36
Dipole, Da:	2.85
IP(EA), eV:	-8.57(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzothiophen-2-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine

Drug info:

PubChemData

Smile

CNC(CCC1=CC=NN1C)C2CC3=CC=CC=C3S2

DOS

IR

Vibrations