Geometry & MOs

Info

ID:	442484
PubChem CID:	135252374
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	388.203845
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	2.15
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(1,1,4,4,7-pentamethyl-3H-isochromen-6-yl)naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)OC2CCNCC2

DOS

IR

Vibrations