Geometry & MOs

Info

ID:

186367

PubChem CID:

77425387

Reduced:

ClO2F3N3C32H35 (1)

Stoich.:

AB2C3D3E32F35 (1)

Weight, g/mol:

551.235098

ΔHf, kcal/mol:

-216.76

Dipole, Da:

6.95

IP(EA), eV:

 -8.44(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-1-(2-fluoro-6-methylbenzoyl)-2-[4-(oxolan-3-ylamino)cyclohexa-2,4-dien-1-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN(C2C3CC=C(C=C3)NC4CCCC4)C(=O)C5=CC=C(C=C5)Cl)C(F)(F)F

DOS

IR

Vibrations