Geometry & MOs

Info

ID:	370626
PubChem CID:	127339779
Reduced:	SO2N5C17H21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	-22.64
Dipole, Da:	3.09
IP(EA), eV:	-9.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations