Geometry & MOs

Info

ID:	337972
PubChem CID:	127258595
Reduced:	NO3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	206.070972
ΔH_f, kcal/mol:	-155.61
Dipole, Da:	4.8
IP(EA), eV:	-9.91(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbonochloridoylbutyl butanoate

Drug info:

PubChemData

Smile

CCC(C(=O)C(C1=CC=CC2=NON=C21)C(C)CC(=O)O)C(=O)O

DOS

IR

Vibrations