Geometry & MOs

Info

ID:	256104
PubChem CID:	103137046
Reduced:	N3O3C13H21 (1)
Stoich.:	A3B3C13D21 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-116.47
Dipole, Da:	2.69
IP(EA), eV:	-8.49(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1N)C(=O)OCC2CCC(O2)C)C

DOS

IR

Vibrations