Geometry & MOs

Info

ID:	445606
PubChem CID:	135268486
Reduced:	FO2N5C27H28 (1)
Stoich.:	AB2C5D27E28 (1)
Weight, g/mol:	461.191483
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	7.08
IP(EA), eV:	-8.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2,4-difluoro-5-[1-(4-methoxyphenyl)ethyl]phenyl]quinazolin-7-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(/C(=C/C=C\N=C)/C)C(=O)N)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)F

DOS

IR

Vibrations