Geometry & MOs

Info

ID:

187056

PubChem CID:

77526480

Reduced:

ON3C14H14 (2)

Stoich.:

AB3C14D14 (2)

Weight, g/mol:

509.21803

ΔHf, kcal/mol:

73.21

Dipole, Da:

10.06

IP(EA), eV:

 -8.51(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(4-chloro-2-ethoxycarbonylphenoxy)-1-ethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=C1C3=CC=CC=C3)N4CCC(C4)N(C)C)OC(=N2)C(=O)N(C)C5=CC=CC=N5)C#N

DOS

IR

Vibrations