Geometry & MOs

Info

ID:	330365
PubChem CID:	127247352
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	70.38
Dipole, Da:	4.98
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-indol-3-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CN=C(C=C3)N4C=CC=N4

DOS

IR

Vibrations