Geometry & MOs

Info

ID:	187858
PubChem CID:	77635498
Reduced:	ON2C25H36 (1)
Stoich.:	AB2C25D36 (1)
Weight, g/mol:	518.172083
ΔH_f, kcal/mol:	-33.1
Dipole, Da:	1.52
IP(EA), eV:	-8.19(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[2-oxo-3-[5-(phenylcarbamoylamino)pyridin-2-yl]pyridin-1-yl]methyl]phenyl]butanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(=C1CC2C3CCC(C3(CCC2C4(C1N(CC=C4)C)C)C)O)C5=CC=CN5

DOS

IR

Vibrations