Geometry & MOs

Info

ID:	267682
PubChem CID:	103584674
Reduced:	BrNOF2H12C14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	296.115876
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	1.26
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2,5-difluoro-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NCC2=CC(=C(C=C2)O)Br)F

DOS

IR

Vibrations