Geometry & MOs

Info

ID:	267696
PubChem CID:	103585297
Reduced:	ClNSF2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	256.13872
ΔH_f, kcal/mol:	-59.01
Dipole, Da:	2.14
IP(EA), eV:	-8.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(2,5-difluoro-4-methylphenyl)-2-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)NC(C)C2=CC=C(S2)Cl)F

DOS

IR

Vibrations