Geometry & MOs

Info

ID:	441789
PubChem CID:	135244675
Reduced:	ON8C22H24 (1)
Stoich.:	AB8C22D24 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	64.09
Dipole, Da:	2.54
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-heptan-4-yl-4,6-dimethyl-4,5-dihydro-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\N1C(=O)C2=CC=CC(=C2N=C1C(C)NC3=NC(=NC(=C3C#N)N)N)C

DOS

IR

Vibrations