Geometry & MOs

Info

ID:	141082
PubChem CID:	52815557
Reduced:	FOSN2C19H23 (1)
Stoich.:	ABCD2E19F23 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	-53.39
Dipole, Da:	4.5
IP(EA), eV:	-9.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-4-nitroimidazol-1-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN(C1CCCCCCC1)C(=O)C2=CN=C(S2)C3=CC=CC=C3F

DOS

IR

Vibrations