Geometry & MOs

Info

ID:	423614
PubChem CID:	135119856
Reduced:	NCl2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-120.21
Dipole, Da:	3.14
IP(EA), eV:	-9.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undec-4-ene

Drug info:

PubChemData

Smile

COCCC1CN(CCO1)C(=O)C2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations