Geometry & MOs

Info

ID:	130087
PubChem CID:	51074902
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-116.0
Dipole, Da:	4.03
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N(C1=O)CC(=O)N3CCCC(C3)C(=O)N

DOS

IR

Vibrations