Geometry & MOs

Info

ID:	149164
PubChem CID:	53788836
Reduced:	NO2C22H39 (1)
Stoich.:	AB2C22D39 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	1.63
IP(EA), eV:	-8.41(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a,8a-dihydro-4H-isochromene-1,3-dione;2-amino-N-methylacetamide

Drug info:

PubChemData

Smile

CCCCCC=C(C1CC=C[C@]1(C=CCCCCCCO)O)N(C)C

DOS

IR

Vibrations