Geometry & MOs

Info

ID:	130132
PubChem CID:	51075008
Reduced:	ClSO2N3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	2.61
IP(EA), eV:	-9.06(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azocan-1-yl-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC3=C(S2)C(=O)N(C=N3)CCC(=O)N)Cl

DOS

IR

Vibrations