Geometry & MOs

Info

ID:	190529
PubChem CID:	78016420
Reduced:	N4O7C12H18 (1)
Stoich.:	A4B7C12D18 (1)
Weight, g/mol:	440.16306
ΔH_f, kcal/mol:	-310.14
Dipole, Da:	4.47
IP(EA), eV:	-10.31(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethylamino)-1-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]ethanol

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)C2C(C(C(O2)C(=O)NCCC(=O)N)O)O

DOS

IR

Vibrations