Geometry & MOs

Info

ID:

223798

PubChem CID:

85335588

Reduced:

ClNO3F7H23C26 (1)

Stoich.:

ABC3D7E23F26 (1)

Weight, g/mol:

566.241687

ΔHf, kcal/mol:

-436.75

Dipole, Da:

2.44

IP(EA), eV:

 -9.28(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]-8,9-dimethoxy-3-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)OC2=CC=CC(=C2)C(C(C(F)(F)F)O)NCC3=CC(=CC=C3)OC(C(F)F)(F)F)Cl

DOS

IR

Vibrations