Geometry & MOs

Info

ID:	362189
PubChem CID:	127305912
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-37.31
Dipole, Da:	6.03
IP(EA), eV:	-8.99(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undecan-2-yl)-2-(1-methylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)N2CCCC3(C2)CCCCC3

DOS

IR

Vibrations