Geometry & MOs

Info

ID:	432021
PubChem CID:	135172153
Reduced:	N2O2C19H22 (1)
Stoich.:	A2B2C19D22 (1)
Weight, g/mol:	380.247521
ΔH_f, kcal/mol:	23.52
Dipole, Da:	3.64
IP(EA), eV:	-9.35(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-amino-5-fluoro-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCC1=CC2C(C=C1)OC(=N2)CC(C)C3=CC4C(C=C3)N=CO4

DOS

IR

Vibrations