Geometry & MOs

Info

ID:	199280
PubChem CID:	79226281
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-107.83
Dipole, Da:	4.64
IP(EA), eV:	-8.72(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)pyrazol-4-yl]propan-1-amine

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)CNCC(CO)O

DOS

IR

Vibrations