Geometry & MOs

Info

ID:	370606
PubChem CID:	127339752
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	376.085767
ΔH_f, kcal/mol:	-19.09
Dipole, Da:	1.73
IP(EA), eV:	-9.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichloro-1H-indol-2-yl)-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)CN3C=CC=NC3=O

DOS

IR

Vibrations