Geometry & MOs

Info

ID:	364635
PubChem CID:	127315930
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-158.05
Dipole, Da:	6.34
IP(EA), eV:	-9.27(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(=O)N(C1=O)CC(=O)N2CCN(CC2)C(=O)C3=COC4=CC=CC=C43

DOS

IR

Vibrations