Geometry & MOs

Info

ID:

424506

PubChem CID:

135122951

Reduced:

F2N3O4C37H37 (1)

Stoich.:

A2B3C4D37E37 (1)

Weight, g/mol:

519.32094

ΔHf, kcal/mol:

-151.15

Dipole, Da:

6.48

IP(EA), eV:

 -8.24(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[[(6S)-6-ethyl-5,6,7,9-tetrahydropyrido[2,3-c]azepin-8-yl]methyl]-4-methylphenyl]-3-[(1-ethyltriazol-4-yl)methoxy]-2,2-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC2=CC(=CC3=C2N(C(=O)C34CCC4)CC5=CC=C(C=C5)OC)C6=C(C=CC(=C6)N)OC7=C(C=C(C=C7)F)F

DOS

IR

Vibrations