Geometry & MOs

Info

ID:	161239
PubChem CID:	57391124
Reduced:	ClO3N6H23C27 (1)
Stoich.:	AB3C6D23E27 (1)
Weight, g/mol:	248.109568
ΔH_f, kcal/mol:	24.39
Dipole, Da:	2.81
IP(EA), eV:	-8.85(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-4-(4-methylpiperazin-1-yl)thieno[3,2-d]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=NC(=O)CC(=NC3=CN2)C4=CC(=CC=C4)NC(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations