Geometry & MOs

Info

ID:	407263
PubChem CID:	135079691
Reduced:	NO2C24H25 (1)
Stoich.:	AB2C24D25 (1)
Weight, g/mol:	393.113171
ΔH_f, kcal/mol:	11.78
Dipole, Da:	3.7
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-3-(5-chloro-1,3-benzodioxol-4-yl)-N-(cyclohexen-1-yl)prop-2-ynamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC)C#CC(=O)N(CC2=CC=CC=C2)C3=CCCCC3

DOS

IR

Vibrations