Geometry & MOs

Info

ID:	445600
PubChem CID:	135268450
Reduced:	NC10H11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	474.254338
ΔH_f, kcal/mol:	43.26
Dipole, Da:	2.74
IP(EA), eV:	-9.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3E,4Z)-6-fluoro-3-[2-(7-morpholin-4-ylquinazolin-4-yl)ethylidene]hepta-4,6-dien-2-yl]-N,N-dimethylpyridazin-3-amine

Drug info:

PubChemData

Smile

CC#CC1=CC(=NC(=C1)C)C

DOS

IR

Vibrations