Geometry & MOs

Info

ID:

188369

PubChem CID:

77705537

Reduced:

FNO2C14H20 (1)

Stoich.:

ABC2D14E20 (1)

Weight, g/mol:

825.396471

ΔHf, kcal/mol:

-131.78

Dipole, Da:

5.95

IP(EA), eV:

 -9.65(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[1-[(1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl]-5-[3-(morpholin-4-ylmethyl)phenyl]benzimidazol-2-yl]phenoxy]acetic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCCNC(CC1=CC=C(C=C1)F)C(=O)O

DOS

IR

Vibrations