Geometry & MOs

Info

ID:	266856
PubChem CID:	103579768
Reduced:	FNOCl2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	288.03448
ΔH_f, kcal/mol:	-111.6
Dipole, Da:	5.3
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

CC(C)(CCNC1=CC(=C(C(=C1)Cl)F)Cl)O

DOS

IR

Vibrations