Geometry & MOs

Info

ID:	266512
PubChem CID:	103568038
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-155.51
Dipole, Da:	1.21
IP(EA), eV:	-9.06(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methoxy]-5-methoxybenzonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N)OCCC2CCCC2=O

DOS

IR

Vibrations