Geometry & MOs

Info

ID:	140796
PubChem CID:	52761655
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-90.91
Dipole, Da:	1.34
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(1,3-benzodioxol-5-yl)cyclohexanecarbonyl]amino]-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

CC/C=C(/C)\C(=O)O[C@@H](C)C(=O)N1CCN(CC1)C2=NC=CC=N2

DOS

IR

Vibrations