Geometry & MOs

Info

ID:	379647
PubChem CID:	134453747
Reduced:	NH35C50 (1)
Stoich.:	AB35C50 (1)
Weight, g/mol:	269.199094
ΔH_f, kcal/mol:	205.37
Dipole, Da:	0.25
IP(EA), eV:	-8.01(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(4-methylpentylcarbamoyl)cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC=CC(=C5)C6=C(C7=CC=CC=C7C8=CC=CC=C86)C9=CC=CC=C9

DOS

IR

Vibrations