Geometry & MOs

Info

ID:	194876
PubChem CID:	78600879
Reduced:	ClN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	413.134876
ΔH_f, kcal/mol:	-6.17
Dipole, Da:	5.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.373869
Charge, e:	-1

Chem-info

IUPAC name:

4-(furan-2-carbonyl)-8-(3-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylate

Drug info:

PubChemData

Smile

C1C(ON=C1C2=CC3=C(C=C2)OCO3)C[NH2+]CC4=CC=CC=C4Cl

DOS

IR

Vibrations