Geometry & MOs

Info

ID:	133436
PubChem CID:	51526766
Reduced:	NF2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	298.144319
ΔH_f, kcal/mol:	-244.72
Dipole, Da:	11.97
IP(EA), eV:	-9.14(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

hydroxy-(2,3,4-trimethyl-8,9,10,11-tetrahydro-[1]benzofuro[6,7-c]isochromen-7-ylidene)azanium

Drug info:

PubChemData

Smile

CC1(CC(=C(C(=O)C1)[C@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)F)F)O)C

DOS

IR

Vibrations