Geometry & MOs

Info

ID:	396759
PubChem CID:	135029157
Reduced:	PN2C9O11H15 (1)
Stoich.:	AB2C9D11E15 (1)
Weight, g/mol:	101.060255
ΔH_f, kcal/mol:	-556.95
Dipole, Da:	3.65
IP(EA), eV:	-10.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl propanoate

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@H](C(C1=C(NC(=O)NC1=O)O)O)O)O)O)OP(=O)(O)O

DOS

IR

Vibrations