Geometry & MOs

Info

ID:	219502
PubChem CID:	85148767
Reduced:	O7N8C22H30 (1)
Stoich.:	A7B8C22D30 (1)
Weight, g/mol:	518.237664
ΔH_f, kcal/mol:	-265.02
Dipole, Da:	6.07
IP(EA), eV:	-9.62(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3,4-dimethoxyphenoxy)-1-[2-(4-nitroimidazol-1-yl)octanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

C1C2=CC(=CC=C2)C(=O)NC(C(=O)NCC(=O)NC(C(=O)NCC(=O)N1)CC(=O)O)CCCN=C(N)N

DOS

IR

Vibrations