Geometry & MOs

Info

ID:	251199
PubChem CID:	103102119
Reduced:	FN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	238.15037
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	2.59
IP(EA), eV:	-8.8(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-(4,5,6,7-tetrahydro-1-benzothiophen-2-ylmethyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1=C(C=C(C=C1)C)F

DOS

IR

Vibrations