Geometry & MOs

Info

ID:	369777
PubChem CID:	127335261
Reduced:	ClO2N4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	363.20591
ΔH_f, kcal/mol:	-38.75
Dipole, Da:	2.38
IP(EA), eV:	-8.65(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations