Geometry & MOs

Info

ID:	434815
PubChem CID:	135175756
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	515.183204
ΔH_f, kcal/mol:	-93.56
Dipole, Da:	3.48
IP(EA), eV:	-8.52(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(cyclobutylmethyl)pyrazol-4-yl]-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC[C@H](C)N1C=C(C=N1)C2=C(C=C(C=C2F)N)C(=O)OCC

DOS

IR

Vibrations