Geometry & MOs

Info

ID:	445609
PubChem CID:	135268489
Reduced:	ON6C24H24 (1)
Stoich.:	AB6C24D24 (1)
Weight, g/mol:	406.126361
ΔH_f, kcal/mol:	71.26
Dipole, Da:	9.4
IP(EA), eV:	-8.3(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[3-fluoro-5-(1,3-thiazol-2-ylmethyl)phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

CC(=O)NC1=CN=C(C=C1)NCCNC2=NN=C(C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations