Geometry & MOs

Info

ID:	402832
PubChem CID:	135057448
Reduced:	NO3C23H31 (1)
Stoich.:	AB3C23D31 (1)
Weight, g/mol:	341.199094
ΔH_f, kcal/mol:	-114.81
Dipole, Da:	2.84
IP(EA), eV:	-7.9(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-[1-(4-methoxyanilino)ethyl]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1CCCCCCC(=O)OC)NC2=CC=C(C=C2)OC

DOS

IR

Vibrations