Geometry & MOs

Info

ID:

85234

PubChem CID:

49872646

Reduced:

FON8H25C27 (1)

Stoich.:

ABC8D25E27 (1)

Weight, g/mol:

533.178948

ΔHf, kcal/mol:

62.21

Dipole, Da:

3.79

IP(EA), eV:

 -9.3(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[(4,4-difluoropiperidin-1-yl)-(4-fluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=C(C=C(C=C2)F)C(=C1C3=CC=CC=C3)C(=O)N4CCNCC4)NC5=NC=NC(=C5C#N)N

DOS

IR

Vibrations