Geometry & MOs

Info

ID:	339560
PubChem CID:	127261550
Reduced:	BrO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	435.262088
ΔH_f, kcal/mol:	-130.94
Dipole, Da:	2.19
IP(EA), eV:	-9.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-acetyloxy-4-nitrophenyl) hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)OCC(=O)C1=C(C=C(C=C1)Br)C

DOS

IR

Vibrations