Geometry & MOs

Info

ID:	445626
PubChem CID:	135268637
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	457.13726
ΔH_f, kcal/mol:	-52.81
Dipole, Da:	4.0
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-fluoro-3-(thieno[2,3-d]pyrimidin-4-ylmethyl)phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

CC(=O)N/N=C(\C=C)/C(C1=CC(=C(C=C1)F)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)O

DOS

IR

Vibrations