Geometry & MOs

Info

ID:	342247
PubChem CID:	127265024
Reduced:	FN3C18H22 (1)
Stoich.:	AB3C18D22 (1)
Weight, g/mol:	337.122655
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	1.26
IP(EA), eV:	-8.3(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyano-2-fluorophenyl)methylamino]-2-oxoethyl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CNCC2=CC(=NC=C2)N3CCCC3)F

DOS

IR

Vibrations