Geometry & MOs

Info

ID:	425851
PubChem CID:	135128286
Reduced:	OSN6C24H32 (1)
Stoich.:	ABC6D24E32 (1)
Weight, g/mol:	436.240916
ΔH_f, kcal/mol:	9.66
Dipole, Da:	4.16
IP(EA), eV:	-8.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(4-methylcyclohexyl)-2-N-[3-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC(=CC=C4)N5CCN(CC5)C)O

DOS

IR

Vibrations