Geometry & MOs

Info

ID:	417885
PubChem CID:	135102980
Reduced:	ON2C6H8 (3)
Stoich.:	AB2C6D8 (3)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-60.35
Dipole, Da:	6.72
IP(EA), eV:	-8.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[[5-(4-ethoxyphenyl)furan-2-yl]methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CCC4=C(C3)C(=NN4C)C(=O)O

DOS

IR

Vibrations