Geometry & MOs

Info

ID:	50362
PubChem CID:	12012885
Reduced:	OC22H40 (1)
Stoich.:	AB22C40 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	-96.02
Dipole, Da:	4.6
IP(EA), eV:	-9.34(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-3-methylideneisoindol-1-one

Drug info:

PubChemData

Smile

CCCCCC/C(=C/C(=C(\C)/C=O)/CCCCCC)/CCCC

DOS

IR

Vibrations