Geometry & MOs

Info

ID:	211717
PubChem CID:	81050757
Reduced:	BrClFH7C8 (1)
Stoich.:	ABCD7E8 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-46.29
Dipole, Da:	2.43
IP(EA), eV:	-9.52(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(aminomethyl)-2,6-dimethylpyridin-4-yl]-(2-methylpropyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)Cl)CBr

DOS

IR

Vibrations