Geometry & MOs

Info

ID:	52060
PubChem CID:	12014838
Reduced:	ON3C5H5 (2)
Stoich.:	AB3C5D5 (2)
Weight, g/mol:	529.152537
ΔH_f, kcal/mol:	19.96
Dipole, Da:	6.16
IP(EA), eV:	-9.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(1,3-dioxoinden-2-ylidene)methyl]-3-(1-hydroxy-3-oxoinden-2-yl)prop-2-enylidene]indene-1,3-dione;N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC(=O)NC2=NNN=N2

DOS

IR

Vibrations