Geometry & MOs

Info

ID:	406577
PubChem CID:	135078098
Reduced:	N3O3C26H29 (1)
Stoich.:	A3B3C26D29 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	6.37
IP(EA), eV:	-8.42(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methyl-4-oxochromen-3-yl)-N-(4-methylphenyl)methanimine oxide

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=CC3=C2NC4C3=CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C

DOS

IR

Vibrations