Geometry & MOs

Info

ID:	123411
PubChem CID:	50846106
Reduced:	ClON5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	407.268511
ΔH_f, kcal/mol:	10.37
Dipole, Da:	6.08
IP(EA), eV:	-8.19(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[6-(azepan-1-yl)pyridazin-3-yl]piperidin-4-yl]-3,5-dimethylbenzamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=NN=C(C=C2)N3CCC(CC3)NC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations