Geometry & MOs

Info

ID:	59503
PubChem CID:	24875178
Reduced:	ON2C12H16 (2)
Stoich.:	AB2C12D16 (2)
Weight, g/mol:	497.231456
ΔH_f, kcal/mol:	-13.39
Dipole, Da:	3.21
IP(EA), eV:	-8.67(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-[[(3-methylpyridin-2-yl)amino]methyl]furan-2-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCN(C)CCCC1=CC(=C(C=C1)NC(=O)C2=CC=C(O2)C#N)N3CCC(CC3)C

DOS

IR

Vibrations