Geometry & MOs

Info

ID:

81273

PubChem CID:

49854536

Reduced:

O4N6C21H22 (1)

Stoich.:

A4B6C21D22 (1)

Weight, g/mol:

558.195326

ΔHf, kcal/mol:

-61.78

Dipole, Da:

4.77

IP(EA), eV:

 -9.32(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,3R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-3-methyl-1,2,3,7,8,9-hexahydrocyclopenta[f]quinoline-4-carboxylate

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C(C2CCOCC2)NC(=O)C3=CN=C(NC3=O)C4=CN=NC=C4

DOS

IR

Vibrations