Geometry & MOs

Info

ID:	224993
PubChem CID:	85735416
Reduced:	SN4O4H8C9 (1)
Stoich.:	AB4C4D8E9 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	61.44
Dipole, Da:	5.39
IP(EA), eV:	-10.09(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-(1-hydroxyhexyl)phenoxy]butanoate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C2=NSN=C12)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations