Geometry & MOs

Info

ID:	195915
PubChem CID:	78748658
Reduced:	FNO5H18C19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	417.157623
ΔH_f, kcal/mol:	-199.78
Dipole, Da:	4.28
IP(EA), eV:	-8.8(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzylanilino)-2-oxoethyl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)O)OC)F

DOS

IR

Vibrations