Geometry & MOs

Info

ID:

320326

PubChem CID:

126659517

Reduced:

SN2O4C31H32 (1)

Stoich.:

AB2C4D31E32 (1)

Weight, g/mol:

495.240959

ΔHf, kcal/mol:

-29.76

Dipole, Da:

4.08

IP(EA), eV:

 -8.77(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[5-(1-methoxy-4-phenylbutyl)-4-methyl-2-oxa-3-azabicyclo[3.1.0]hex-3-en-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1CCOC(C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)NS(=O)C

DOS

IR

Vibrations