Geometry & MOs

Info

ID:	164005
PubChem CID:	74381350
Reduced:	N3O4C27H35 (1)
Stoich.:	A3B4C27D35 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	10.5
IP(EA), eV:	-8.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethyl)but-1-enyl acetate

Drug info:

PubChemData

Smile

CC1=NOC(=C1)N=C(C[N+]23CCC(CC2)C(C3)OC(=O)C4(CCCCCC4)C5=CC=CC=C5)[O-]

DOS

IR

Vibrations