Geometry & MOs

Info

ID:	438780
PubChem CID:	135228536
Reduced:	NO2C22H35 (1)
Stoich.:	AB2C22D35 (1)
Weight, g/mol:	345.230394
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	3.18
IP(EA), eV:	-9.53(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)ethyl]-5,5-dimethyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1C(=O)NCC(CCO)C2=CC=CC=C2)(C)C

DOS

IR

Vibrations