Geometry & MOs

Info

ID:	199148
PubChem CID:	79204751
Reduced:	O2N3C16H29 (1)
Stoich.:	A2B3C16D29 (1)
Weight, g/mol:	283.079763
ΔH_f, kcal/mol:	-83.79
Dipole, Da:	3.66
IP(EA), eV:	-9.01(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloroethyl)-N-propyl-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C(C)(C)OC)C)CCCNCCOC

DOS

IR

Vibrations