Geometry & MOs

Info

ID:	159806
PubChem CID:	57288770
Reduced:	O3N6H26C28 (1)
Stoich.:	A3B6C26D28 (1)
Weight, g/mol:	354.27701
ΔH_f, kcal/mol:	62.76
Dipole, Da:	6.43
IP(EA), eV:	-9.14(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-hydroxy-5-(3-hydroxy-3-methyloct-1-enyl)cyclopentyl]heptanoic acid

Drug info:

PubChemData

Smile

CCC1=NC=C(N1)C2=CC=C(C=C2)N=C(C3C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)C5=CC=C(C=C5)CCN

DOS

IR

Vibrations