Geometry & MOs

Info

ID:	125967
PubChem CID:	50946098
Reduced:	FON7C19H22 (1)
Stoich.:	ABC7D19E22 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	8.35
Dipole, Da:	4.99
IP(EA), eV:	-8.77(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2,6-diethylthieno[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NN=C(C=C2)NCCNC(=O)NC3=C(C(=CC=C3)F)C)C

DOS

IR

Vibrations