Geometry & MOs

Info

ID:

377689

PubChem CID:

134223753

Reduced:

ON2H44C70 (1)

Stoich.:

AB2C44D70 (1)

Weight, g/mol:

331.214744

ΔHf, kcal/mol:

257.83

Dipole, Da:

2.59

IP(EA), eV:

 -7.98(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-N-(2-hydroxy-4-methoxyphenyl)-1,5,5-trimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1C1=CC=CC=C91)C=CC(=C5)C1=CC2=C(C=C1)OC1=C2C=C2C3=CC=CC=C3N(C2=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations