Geometry & MOs

Info

ID:	184648
PubChem CID:	77188386
Reduced:	N3O5C26H37 (1)
Stoich.:	A3B5C26D37 (1)
Weight, g/mol:	464.213616
ΔH_f, kcal/mol:	-220.22
Dipole, Da:	4.26
IP(EA), eV:	-8.34(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-3-[4-(3-pyrrolidin-1-ylphenyl)pyrazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

CC(C)CN(C(=O)CCNC(=O)OC(C)(C)C)C(=O)N1CCCC1CC2=C3C=CC=CC3=CO2

DOS

IR

Vibrations