Geometry & MOs

Info

ID:	431966
PubChem CID:	135172094
Reduced:	O3N4C27H36 (1)
Stoich.:	A3B4C27D36 (1)
Weight, g/mol:	473.24269
ΔH_f, kcal/mol:	-89.04
Dipole, Da:	8.33
IP(EA), eV:	-8.54(-0.33)
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]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)OCC(=O)O)NC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations