Geometry & MOs

Info

ID:	445625
PubChem CID:	135268636
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	-21.32
Dipole, Da:	8.65
IP(EA), eV:	-8.15(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-1-hydroxybut-3-en-2-ylidene]amino]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C=CC=C1CC2=C/C(=C/3\C4=C(C=C(C=C4)N5CCOCC5)NC=N3)/C=CC2=O

DOS

IR

Vibrations