Geometry & MOs

Info

ID:	345771
PubChem CID:	127270071
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	241.150036
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	3.85
IP(EA), eV:	-9.58(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)C3CCCCCC3

DOS

IR

Vibrations