Geometry & MOs

Info

ID:	205281
PubChem CID:	80080172
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	224.098334
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	4.4
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(1-oxo-1,4-thiazinan-4-yl)aniline

Drug info:

PubChemData

Smile

CCC1C(=O)NC(=O)CN1C2=C(C=CC(=C2)C)N

DOS

IR

Vibrations