Geometry & MOs

Info

ID:	369757
PubChem CID:	127335219
Reduced:	ON4C20H32 (1)
Stoich.:	AB4C20D32 (1)
Weight, g/mol:	369.135638
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	6.72
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC1CCCC1)C(=O)NC2CCCN(C2)C3=NN=C(C=C3)C

DOS

IR

Vibrations