Geometry & MOs

Info

ID:	377622
PubChem CID:	134223685
Reduced:	ON2H34C51 (1)
Stoich.:	AB2C34D51 (1)
Weight, g/mol:	281.199094
ΔH_f, kcal/mol:	178.48
Dipole, Da:	4.85
IP(EA), eV:	-8.14(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyoxolan-3-yl)-5,5-dimethyl-2-prop-1-en-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=C(C=C3)C5=C(N4C6=CC=CC=C6)C=CC(=C5)C7=CC8=C(C=C7)C9=C(N8C1=CC=CC=C1)C=C1C2=CC=CC=C2OC1=C9)C

DOS

IR

Vibrations