Geometry & MOs

Info

ID:	311247
PubChem CID:	126590039
Reduced:	ClN2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	380.10994
ΔH_f, kcal/mol:	-34.89
Dipole, Da:	3.6
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-5-bromo-2,6-dimethylpyridin-3-yl]acetate

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2C(N(C(C2C=O)C=O)CC3=CC(=CC=C3)Cl)C=C

DOS

IR

Vibrations