Geometry & MOs

Info

ID:	337882
PubChem CID:	127258505
Reduced:	NO4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-204.62
Dipole, Da:	3.37
IP(EA), eV:	-10.03(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6Z)-6-(dimethylaminomethylidene)-5-oxocyclohexa-1,3-dien-1-yl]methyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCNC(=O)C1CCCC(=O)C1

DOS

IR

Vibrations