Geometry & MOs

Info

ID:	186309
PubChem CID:	77418996
Reduced:	ClN4O5C24H29 (1)
Stoich.:	AB4C5D24E29 (1)
Weight, g/mol:	355.142947
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	5.31
IP(EA), eV:	-8.69(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-(oxan-4-yl)-4-prop-2-enoxypyrrolidin-3-yl]acetamide;dihydrochloride

Drug info:

PubChemData

Smile

CCO.CC(C)OC1=C(C=C(C=N1)C2=NC(=NO2)C3=CC=C(C=C3)NC4CCC(C4)C(=O)O)Cl

DOS

IR

Vibrations