Geometry & MOs

Info

ID:	337877
PubChem CID:	127258500
Reduced:	NO6C12H19 (1)
Stoich.:	AB6C12D19 (1)
Weight, g/mol:	188.104859
ΔH_f, kcal/mol:	-285.69
Dipole, Da:	7.28
IP(EA), eV:	-10.13(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetyloxypropyl butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)C(C(C)CC(=O)O)NC(=O)C)C(=O)O

DOS

IR

Vibrations