Geometry & MOs

Info

ID:	426693
PubChem CID:	135153390
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-73.56
Dipole, Da:	1.87
IP(EA), eV:	-8.99(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-amino-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)N)[N+](=O)[O-]

DOS

IR

Vibrations