Geometry & MOs

Info

ID:	362474
PubChem CID:	127307950
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	289.215413
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	6.52
IP(EA), eV:	-9.27(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undecan-2-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3CC(=O)N(C3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations