Geometry & MOs

Info

ID:	204779
PubChem CID:	80006426
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-112.08
Dipole, Da:	4.76
IP(EA), eV:	-9.27(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(pentylcarbamoylamino)methyl]oxolane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(OC1CN)C(=O)NC2=CC=C(C=C2)C(=O)N

DOS

IR

Vibrations