Geometry & MOs

Info

ID:	68428
PubChem CID:	46508391
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	416.178316
ΔH_f, kcal/mol:	-68.85
Dipole, Da:	5.25
IP(EA), eV:	-8.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CNC3=CC=CC=C3C(=O)N

DOS

IR

Vibrations