Geometry & MOs

Info

ID:	199258
PubChem CID:	79223999
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	43.07
Dipole, Da:	1.33
IP(EA), eV:	-8.63(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pyrazol-3-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCNCC1=CN(N=C1C)CC2CC3=CC=CC=C3S2

DOS

IR

Vibrations