Geometry & MOs

Info

ID:	431993
PubChem CID:	135172121
Reduced:	O3N4C29H32 (1)
Stoich.:	A3B4C29D32 (1)
Weight, g/mol:	484.247441
ΔH_f, kcal/mol:	-36.24
Dipole, Da:	1.89
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=C(C=CN=C3)C(=O)O)NC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations