Geometry & MOs

Info

ID:	217050
PubChem CID:	85087163
Reduced:	BrN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	327.143035
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	6.42
IP(EA), eV:	-9.88(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[[1-(2-hydroxyacetyl)pyrrolidine-2-carbonyl]amino]-2-oxopyrrolidin-1-yl]acetate

Drug info:

PubChemData

Smile

COC1C=CC=C2C1=NC(=NC2=O)CCC(CBr)O

DOS

IR

Vibrations