Geometry & MOs

Info

ID:	427846
PubChem CID:	135164291
Reduced:	FO4C16H19 (2)
Stoich.:	AB4C16D19 (2)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-388.87
Dipole, Da:	4.16
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

amino 2-[(4-methoxyphenyl)methyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C=C(CO)C(=O)OCCOC1CC(CC(C1)OCCOC(=O)C(=C)CO)C2=CC3=C(C=C2)C=C(C=C3)CCC=C(F)F

DOS

IR

Vibrations