Geometry & MOs

Info

ID:	268244
PubChem CID:	103598565
Reduced:	FO2N3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	1.56
IP(EA), eV:	-8.98(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)N(CCC#N)CCC#N)F

DOS

IR

Vibrations