Geometry & MOs

Info

ID:	251213
PubChem CID:	103102180
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	252.109648
ΔH_f, kcal/mol:	-26.47
Dipole, Da:	2.34
IP(EA), eV:	-8.62(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-ethyl-N'-[(5-fluoro-1-benzothiophen-2-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCN)CC1CC2=CC=CC=C2OC1

DOS

IR

Vibrations