Geometry & MOs

Info

ID:	370566
PubChem CID:	127339701
Reduced:	ON7C17H19 (1)
Stoich.:	AB7C17D19 (1)
Weight, g/mol:	362.210661
ΔH_f, kcal/mol:	85.74
Dipole, Da:	5.72
IP(EA), eV:	-9.43(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CN=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations