Geometry & MOs

Info

ID:	432035
PubChem CID:	135172167
Reduced:	O2N5C27H41 (1)
Stoich.:	A2B5C27D41 (1)
Weight, g/mol:	487.25834
ΔH_f, kcal/mol:	-53.52
Dipole, Da:	7.59
IP(EA), eV:	-8.34(-0.03)
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]-1-methylpyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)(C)C)NC3=NNC(=N3)C4CC4

DOS

IR

Vibrations