Geometry & MOs

Info

ID:	274222
PubChem CID:	103807826
Reduced:	BrClN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	255.104148
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	7.46
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-aminoethyl)morpholin-4-yl]-(2-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C1CN(CCO1)C(=O)C2=C(C=CC(=C2)Cl)Br)N

DOS

IR

Vibrations