Geometry & MOs

Info

ID:	334188
PubChem CID:	127252740
Reduced:	N4O5H16C17 (1)
Stoich.:	A4B5C16D17 (1)
Weight, g/mol:	459.143035
ΔH_f, kcal/mol:	-165.38
Dipole, Da:	4.59
IP(EA), eV:	-8.76(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CN1C(=C(N(C1=O)C)C2=CC3=C(C=C2)OCC3)C4C(=O)NC(=O)NC4=O

DOS

IR

Vibrations