Geometry & MOs

Info

ID:	426688
PubChem CID:	135153370
Reduced:	NO2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-92.73
Dipole, Da:	6.33
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[3-[(6-cyanopyridin-3-yl)amino]-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2(CC2)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations