Geometry & MOs

Info

ID:

377685

PubChem CID:

134223749

Reduced:

ON2H42C60 (1)

Stoich.:

AB2C42D60 (1)

Weight, g/mol:

283.251129

ΔHf, kcal/mol:

184.51

Dipole, Da:

2.18

IP(EA), eV:

 -8.0(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S)-N-(1-hydroxy-2-methylpropan-2-yl)-1,5,5-trimethyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N4C5=C(C=C(C=C5)C6=CC7=C(C=C6)OC8=C7C=C9C1=CC=CC=C1N(C9=C8)C1=CC=CC=C1)C1=CC2=C(C=C14)C(C1=CC=CC=C12)(C)C)C

DOS

IR

Vibrations