Geometry & MOs

Info

ID:	347724
PubChem CID:	127272786
Reduced:	SN3O4C19H33 (1)
Stoich.:	AB3C4D19E33 (1)
Weight, g/mol:	235.087625
ΔH_f, kcal/mol:	-205.71
Dipole, Da:	3.63
IP(EA), eV:	-9.09(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(azepan-1-yl)-5-chloropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1CCS(=O)(=O)C1)CC(=O)N2CCCC3C2CCCC3

DOS

IR

Vibrations