Geometry & MOs

Info

ID:	350886
PubChem CID:	127279174
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-15.24
Dipole, Da:	2.82
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(cyclohexyl)amino]-N-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)CC4=NOC(=N4)C5CC5

DOS

IR

Vibrations