Geometry & MOs

Info

ID:	244845
PubChem CID:	99431456
Reduced:	O2F3N3C24H26 (1)
Stoich.:	A2B3C3D24E26 (1)
Weight, g/mol:	449.167474
ΔH_f, kcal/mol:	-185.94
Dipole, Da:	7.92
IP(EA), eV:	-9.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC[C@@](C3=CC=CC=C3)(C(F)(F)F)O)C(C)C

DOS

IR

Vibrations