Geometry & MOs

Info

ID:	370656
PubChem CID:	127339815
Reduced:	O2N5C19H27 (1)
Stoich.:	A2B5C19D27 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	5.47
IP(EA), eV:	-9.13(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethylquinolin-3-yl)-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)CCC3=C(NC(=NC3=O)C)C

DOS

IR

Vibrations