Geometry & MOs

Info

ID:	218334
PubChem CID:	85089186
Reduced:	INO2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	449.191048
ΔH_f, kcal/mol:	-51.76
Dipole, Da:	2.44
IP(EA), eV:	-8.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(4-nitroimidazol-1-yl)octanoyl]-4-(1,2-oxazol-5-yloxy)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(C1=CC(=C(C=C1)O)I)O)N2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations