Geometry & MOs

Info

ID:	262000
PubChem CID:	103265595
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-103.53
Dipole, Da:	6.67
IP(EA), eV:	-9.53(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(pent-4-en-2-ylamino)methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C/CCNCC1=CC(=C(O1)C)C(=O)O

DOS

IR

Vibrations