Geometry & MOs

Info

ID:	358788
PubChem CID:	127296654
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	12.81
Dipole, Da:	6.19
IP(EA), eV:	-9.82(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylidenepiperidin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCCC1=NOC2=C1C(=CC(=N2)C3CC3)C(=O)N4CCC(=C)CC4

DOS

IR

Vibrations