Geometry & MOs

Info

ID:	396993
PubChem CID:	135029558
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	659.162783
ΔH_f, kcal/mol:	-14.87
Dipole, Da:	3.38
IP(EA), eV:	-9.34(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-phenyl-4-[1,1,1-trifluoro-3-[(4-nitrobenzoyl)amino]-2-phenylpropan-2-yl]pyrazol-3-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C=CC1CCC(=O)N2C1C3=CC=CC=C3CC2

DOS

IR

Vibrations