Geometry & MOs

Info

ID:	244022
PubChem CID:	99309405
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	-139.85
Dipole, Da:	3.39
IP(EA), eV:	-8.71(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)N2CCC(CC2)NC(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations