Geometry & MOs

Info

ID:	203057
PubChem CID:	79770703
Reduced:	FNO3H12C15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	240.050339
ΔH_f, kcal/mol:	-113.36
Dipole, Da:	5.04
IP(EA), eV:	-8.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCO3)F

DOS

IR

Vibrations