Geometry & MOs

Info

ID:	233176
PubChem CID:	87692809
Reduced:	FO2N4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	451.180874
ΔH_f, kcal/mol:	-96.47
Dipole, Da:	4.65
IP(EA), eV:	-8.92(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)methyl]-N,N-diethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCN1C(=C(C(=C1/C=C/2\C3=C(C=CC(=C3)F)NC2=O)C)C(=O)N)C

DOS

IR

Vibrations