Geometry & MOs

Info

ID:	59479
PubChem CID:	24875033
Reduced:	ON2C10H10 (3)
Stoich.:	AB2C10D10 (3)
Weight, g/mol:	497.24269
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	4.52
IP(EA), eV:	-8.64(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[[(4-methylpyridin-2-yl)amino]methyl]pyrazol-1-yl]phenyl]-2-[(2,4,6-trimethylbenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C(=O)NC(CC2=CC=C(C=C2)N3C=CC(=N3)CNC4=NC5=CC=CC=C5N4)C(=O)O)C

DOS

IR

Vibrations