Geometry & MOs

Info

ID:	437299
PubChem CID:	135222199
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	229.088498
ΔH_f, kcal/mol:	-32.56
Dipole, Da:	2.77
IP(EA), eV:	-8.13(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-6H-1,3,4-thiadiazin-5-yl)butyl acetate

Drug info:

PubChemData

Smile

CN(CCCCCC(=O)CBr)C1=CC=CC=C1

DOS

IR

Vibrations