Geometry & MOs

Info

ID:	337213
PubChem CID:	127256778
Reduced:	N3O4H13C17 (1)
Stoich.:	A3B4C13D17 (1)
Weight, g/mol:	500.252252
ΔH_f, kcal/mol:	12.35
Dipole, Da:	5.33
IP(EA), eV:	-9.16(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-hydroxy-4,8-dimethyl-6-(3-nitrophenyl)dodecan-2-yl]oxycarbonylpyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CC=C(C=C2)[N+](=O)[O-])/C(=O)N1C3=CC=CC=C3

DOS

IR

Vibrations