Geometry & MOs

Info

ID:	205761
PubChem CID:	80153558
Reduced:	N3C15H25 (1)
Stoich.:	A3B15C25 (1)
Weight, g/mol:	291.109314
ΔH_f, kcal/mol:	21.93
Dipole, Da:	1.7
IP(EA), eV:	-8.86(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[ethyl(thiophen-2-ylmethyl)amino]-5-fluoro-4-methylphenyl]ethanone

Drug info:

PubChemData

Smile

CCNCC1=CN=C(C=C1)CN(CC)CC(=C)C

DOS

IR

Vibrations