Geometry & MOs

Info

ID:	445617
PubChem CID:	135268590
Reduced:	OF2N5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	504.192131
ΔH_f, kcal/mol:	-17.71
Dipole, Da:	2.52
IP(EA), eV:	-8.63(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-fluoro-2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-2-(3-methoxypyridazin-4-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1CN=C(C=C1)N2CCN(CC2)C3=C4C(=C(N=N3)CC5=CC=CC=C5)C=CO4)(F)F

DOS

IR

Vibrations