Geometry & MOs

Info

ID:	151149
PubChem CID:	53790848
Reduced:	O5C22H28 (1)
Stoich.:	A5B22C28 (1)
Weight, g/mol:	349.225308
ΔH_f, kcal/mol:	-195.44
Dipole, Da:	3.68
IP(EA), eV:	-9.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-dodecoxy-2-nitro-1-phenylethanone

Drug info:

PubChemData

Smile

CC(=CCC(C(=O)C)C(=O)OC)CCC=C(C)COC(=O)C1=CC=CC=C1

DOS

IR

Vibrations