Geometry & MOs

Info

ID:	204754
PubChem CID:	80003776
Reduced:	N2O3C13H26 (1)
Stoich.:	A2B3C13D26 (1)
Weight, g/mol:	309.076786
ΔH_f, kcal/mol:	-153.0
Dipole, Da:	1.99
IP(EA), eV:	-9.25(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(CCOC)C(=O)C1CCC(O1)CN

DOS

IR

Vibrations