Geometry & MOs

Info

ID:	85101
PubChem CID:	49871739
Reduced:	ClN5H18C21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	444.13848
ΔH_f, kcal/mol:	106.2
Dipole, Da:	4.49
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1,1,1-trifluoro-2-(4-pyrazol-1-ylphenyl)-3-[5-[[1-(trifluoromethyl)cyclopropyl]methyl]-1H-imidazol-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC(=C3)C4=CC=C(C=C4)Cl)N

DOS

IR

Vibrations