Geometry & MOs

Info

ID:	366934
PubChem CID:	127321920
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-61.86
Dipole, Da:	4.26
IP(EA), eV:	-9.31(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl(1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1CC2(CCC=CC2)CN(C1)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations