Geometry & MOs

Info

ID:	390221
PubChem CID:	134997849
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	428.194737
ΔH_f, kcal/mol:	36.93
Dipole, Da:	2.3
IP(EA), eV:	-9.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-tert-butyl 7-O-methyl 2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-2,7-diazaspiro[3.5]nona-5,8-diene-3,7-dicarboxylate

Drug info:

PubChemData

Smile

CC(CCC(=O)C1=CC=CC=C1)/C(=N/OCC2=CC=CC=C2)/C#N

DOS

IR

Vibrations