Geometry & MOs

Info

ID:	369771
PubChem CID:	127335247
Reduced:	ON4C22H28 (1)
Stoich.:	AB4C22D28 (1)
Weight, g/mol:	369.135638
ΔH_f, kcal/mol:	-5.59
Dipole, Da:	5.56
IP(EA), eV:	-8.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-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)CC3CCCC4=CC=CC=C34

DOS

IR

Vibrations