Geometry & MOs

Info

ID:	281617
PubChem CID:	103914126
Reduced:	FON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	258.093519
ΔH_f, kcal/mol:	-50.23
Dipole, Da:	5.73
IP(EA), eV:	-9.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chloro-3-fluorophenyl)methylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=C(C(=CC=C1)C#N)F

DOS

IR

Vibrations