Geometry & MOs

Info

ID:	167785
PubChem CID:	74875888
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	266.00885
ΔH_f, kcal/mol:	-108.5
Dipole, Da:	5.52
IP(EA), eV:	-9.08(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopropylsulfanyl)-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC=C(C)C(=O)NC1=CC=CC(=C1)C(=O)OC

DOS

IR

Vibrations