Geometry & MOs

Info

ID:	198054
PubChem CID:	79038578
Reduced:	ClON2C13H17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	266.154976
ΔH_f, kcal/mol:	59.6
Dipole, Da:	4.37
IP(EA), eV:	-8.94(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-chloropyridin-2-yl)methyl]-4-propan-2-ylazepane

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2CC3=NC(=CC=C3)Cl)O

DOS

IR

Vibrations