Geometry & MOs

Info

ID:	291684
PubChem CID:	113459545
Reduced:	FNSO3H12C13 (1)
Stoich.:	ABCD3E12F13 (1)
Weight, g/mol:	268.172168
ΔH_f, kcal/mol:	-122.83
Dipole, Da:	7.35
IP(EA), eV:	-9.28(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2=CC(=C(C=C2)OC)F)C(=O)O

DOS

IR

Vibrations