Geometry & MOs

Info

ID:	298873
PubChem CID:	117662258
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	327.98811
ΔH_f, kcal/mol:	-88.6
Dipole, Da:	7.43
IP(EA), eV:	-8.82(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3-bromothieno[3,2-b]pyridin-2-yl)amino] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C(=O)N(CC2)C)CC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations