Geometry & MOs

Info

ID:	449761
PubChem CID:	135301242
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	325.111422
ΔH_f, kcal/mol:	-110.11
Dipole, Da:	4.2
IP(EA), eV:	-8.94(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-fluorophenyl)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCC(=O)/C=C/CC(COC)OCCN(C)C

DOS

IR

Vibrations