Geometry & MOs

Info

ID:	431822
PubChem CID:	135171928
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	484.247441
ΔH_f, kcal/mol:	-21.09
Dipole, Da:	8.07
IP(EA), eV:	-8.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(1,3-benzoxazol-2-ylamino)-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)NC3=NN(C=C3)C

DOS

IR

Vibrations