Geometry & MOs

Info

ID:	344134
PubChem CID:	127267310
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	318.176585
ΔH_f, kcal/mol:	10.04
Dipole, Da:	6.28
IP(EA), eV:	-8.39(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-2-pyridin-3-yl-1-(1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCCC1C2=CC(=NN2)C(=O)NC3=CC=C(C=C3)CCN(C)C

DOS

IR

Vibrations