Geometry & MOs

Info

ID:

435378

PubChem CID:

135191328

Reduced:

FNO5H20C21 (1)

Stoich.:

ABC5D20E21 (1)

Weight, g/mol:

435.176976

ΔHf, kcal/mol:

-213.7

Dipole, Da:

11.38

IP(EA), eV:

 -9.54(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(3aS,6aR)-5-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]-6-methylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CC2=CC3=C(C=C2OC)N(C=C(C3=O)C(=O)O)CCO)F

DOS

IR

Vibrations