Geometry & MOs

Info

ID:	366957
PubChem CID:	127321943
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-53.95
Dipole, Da:	4.17
IP(EA), eV:	-8.87(1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azaspiro[5.5]undec-9-en-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations