Geometry & MOs

Info

ID:	362173
PubChem CID:	127305894
Reduced:	O2N3C24H29 (1)
Stoich.:	A2B3C24D29 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	6.97
IP(EA), eV:	-8.7(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations