Geometry & MOs

Info

ID:	137846
PubChem CID:	52270978
Reduced:	BrN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-81.82
Dipole, Da:	5.45
IP(EA), eV:	-9.01(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 2-(6-methylpyridin-3-yl)acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CC(=O)OCC(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations