Geometry & MOs

Info

ID:	421311
PubChem CID:	135115768
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	37.5
Dipole, Da:	3.06
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C2=NC(=NO2)CN3CCCCC3CCN4C=CC=N4

DOS

IR

Vibrations