Geometry & MOs

Info

ID:	334235
PubChem CID:	127252787
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	445.116152
ΔH_f, kcal/mol:	-80.93
Dipole, Da:	5.04
IP(EA), eV:	-8.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCN1C=C2C(C3=C(CN(C3=O)C(=O)C)NC4=C2C1=CC=C4)C5CCCCC5

DOS

IR

Vibrations