Geometry & MOs

Info

ID:	443819
PubChem CID:	135260085
Reduced:	FN2O2C21H21 (1)
Stoich.:	AB2C2D21E21 (1)
Weight, g/mol:	491.122752
ΔH_f, kcal/mol:	-52.43
Dipole, Da:	4.89
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,4-difluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]thieno[2,3-d]pyrimidin-4-yl]methanol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C=CC=N2)C(C3=CC=C(C=C3)F)N4CCOCC4

DOS

IR

Vibrations