Geometry & MOs

Info

ID:	447045
PubChem CID:	135279784
Reduced:	ClN2H15C20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	512.212278
ΔH_f, kcal/mol:	69.17
Dipole, Da:	3.6
IP(EA), eV:	-8.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[2,4-difluoro-5-[4-(3-hydroxy-3-methylbutoxy)-2,6-dimethylphenyl]phenyl]methoxy]pyrazin-2-yl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)Cl)N3C4=C(C=CC=C41)C5=C3N=CC=C5)C

DOS

IR

Vibrations