Geometry & MOs

Info

ID:	370564
PubChem CID:	127339699
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	376.085767
ΔH_f, kcal/mol:	-31.01
Dipole, Da:	2.92
IP(EA), eV:	-9.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC(CC2)C3=CN(N=C3)C

DOS

IR

Vibrations