Geometry & MOs

Info

ID:	172657
PubChem CID:	75537156
Reduced:	ClNBr2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	5.87
Dipole, Da:	2.36
IP(EA), eV:	-9.32(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(3-aminopyridin-2-yl)propanedioate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(C)C2=CC=CC=C2Br.Cl

DOS

IR

Vibrations