Geometry & MOs

Info

ID:	36952
PubChem CID:	8015273
Reduced:	BrNO4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-159.93
Dipole, Da:	4.64
IP(EA), eV:	-9.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 4-ethylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC=C(O2)Br

DOS

IR

Vibrations