Geometry & MOs

Info

ID:	445628
PubChem CID:	135268652
Reduced:	FO3N6C27H29 (1)
Stoich.:	AB3C6D27E29 (1)
Weight, g/mol:	515.196883
ΔH_f, kcal/mol:	-51.22
Dipole, Da:	2.84
IP(EA), eV:	-8.65(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-fluoro-2-methoxy-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-1-(4-methoxy-1H-1,3-diazepin-7-yl)prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C2=NN(C(=O)C=C2)CCN)OC)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F

DOS

IR

Vibrations