Geometry & MOs

Info

ID:	415578
PubChem CID:	135088574
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-43.25
Dipole, Da:	3.85
IP(EA), eV:	-8.73(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-5-(3-oxo-3-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylpropyl)-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C(=NO2)N3CCCC3)C(=O)NCCN

DOS

IR

Vibrations