Geometry & MOs

Info

ID:	432130
PubChem CID:	135172262
Reduced:	N2O4C25H40 (1)
Stoich.:	A2B4C25D40 (1)
Weight, g/mol:	440.278741
ΔH_f, kcal/mol:	-212.91
Dipole, Da:	7.84
IP(EA), eV:	-8.14(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(5-acetamidopyridin-2-yl)amino]-4-[bis(2-methylpropyl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C(C)CC(=O)O)NC2CCC(CC2)C(=O)O

DOS

IR

Vibrations