Geometry & MOs

Info

ID:	268127
PubChem CID:	103597976
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	330.101585
ΔH_f, kcal/mol:	-15.02
Dipole, Da:	3.47
IP(EA), eV:	-8.74(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluoro-4-methoxyphenyl)-N-[(2-nitrophenyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CCCNC(=O)C=CC2=CN=CC=C2

DOS

IR

Vibrations