Geometry & MOs

Info

ID:	271932
PubChem CID:	103701996
Reduced:	BrOSF2N2C14H15 (1)
Stoich.:	ABCD2E2F14G15 (1)
Weight, g/mol:	246.11907
ΔH_f, kcal/mol:	-96.91
Dipole, Da:	3.7
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-(3-methylphenyl)methanamine

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNCC2=C(C=CC(=C2)Br)OC(F)F

DOS

IR

Vibrations