Geometry & MOs

Info

ID:	148997
PubChem CID:	53788668
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	417.157623
ΔH_f, kcal/mol:	-178.8
Dipole, Da:	5.5
IP(EA), eV:	-8.9(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzo[g][2,1]benzoxazol-7-yl 3-(4-butanoyloxyphenyl)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CC(=O)N[C@@H](C)C(=O)OC)C)OC

DOS

IR

Vibrations