Geometry & MOs

Info

ID:	145766
PubChem CID:	53590378
Reduced:	NO4C19H29 (1)
Stoich.:	AB4C19D29 (1)
Weight, g/mol:	336.168522
ΔH_f, kcal/mol:	-171.64
Dipole, Da:	4.73
IP(EA), eV:	-8.63(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

COCCOCCC(=O)NCCC1=CC=C(C=C1)OC2CCCC2

DOS

IR

Vibrations