Geometry & MOs

Info

ID:	290257
PubChem CID:	104423502
Reduced:	NC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	278.18167
ΔH_f, kcal/mol:	27.07
Dipole, Da:	2.35
IP(EA), eV:	-8.88(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-tert-butyl-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)CNCCCNC3CC3

DOS

IR

Vibrations