Geometry & MOs

Info

ID:	354055
PubChem CID:	127285854
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-27.62
Dipole, Da:	4.92
IP(EA), eV:	-8.56(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(1,4-thiazepane-4-carbonyl)pyridin-2-one

Drug info:

PubChemData

Smile

CC1CN(C2=CC=CC=C12)C(=O)C3CCN(C3)C

DOS

IR

Vibrations