Geometry & MOs

Info

ID:	130127
PubChem CID:	51074991
Reduced:	ClO2N3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	-49.01
Dipole, Da:	3.2
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,5-dimethylpyrazol-4-yl)-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=O)CCC(=N2)C(=O)NC)Cl

DOS

IR

Vibrations