Geometry & MOs

Info

ID:	445627
PubChem CID:	135268650
Reduced:	FOSN5H20C25 (1)
Stoich.:	ABCD5E20F25 (1)
Weight, g/mol:	504.228517
ΔH_f, kcal/mol:	54.45
Dipole, Da:	3.45
IP(EA), eV:	-8.75(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-6-[[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-methoxymethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=C(C=C2)C(=NC=N3)C4=CC(=C(C=C4)F)CC5=C6C=CSC6=NC=N5

DOS

IR

Vibrations