Geometry & MOs

Info

ID:	139120
PubChem CID:	52476200
Reduced:	NOC11H14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	308.137222
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	4.85
IP(EA), eV:	-8.62(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCN(CC2)C[C@@H](C3=CC4=C(C=C3)OCC4)O)C

DOS

IR

Vibrations