Geometry & MOs

Info

ID:	445700
PubChem CID:	135268986
Reduced:	FOSN5H22C25 (1)
Stoich.:	ABCD5E22F25 (1)
Weight, g/mol:	457.191403
ΔH_f, kcal/mol:	76.08
Dipole, Da:	5.16
IP(EA), eV:	-8.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-5-methyl-4-(prop-2-enylideneamino)-1,3-dihydropyrrol-2-one

Drug info:

PubChemData

Smile

C=NC1=C(C=CC(=C1)N2CCOCC2)C(=N)C3=C(C=CC(=C3)CC4=C5C=CSC5=CN=N4)F

DOS

IR

Vibrations