Geometry & MOs

Info

ID:	359548
PubChem CID:	127298822
Reduced:	N5C17H29 (1)
Stoich.:	A5B17C29 (1)
Weight, g/mol:	388.166604
ΔH_f, kcal/mol:	11.2
Dipole, Da:	4.09
IP(EA), eV:	-8.71(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine

Drug info:

PubChemData

Smile

CNC1=CC(=NC=N1)N2CCCC2CNC3CCCCCC3

DOS

IR

Vibrations