Geometry & MOs

Info

ID:	80157
PubChem CID:	49833295
Reduced:	OSN7C25H31 (1)
Stoich.:	ABC7D25E31 (1)
Weight, g/mol:	520.236893
ΔH_f, kcal/mol:	78.37
Dipole, Da:	9.65
IP(EA), eV:	-8.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-imidazo[1,2-a]pyridin-5-yl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]piperazin-1-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=CC=CC5=NC=CN54)N6CCOCC6

DOS

IR

Vibrations