Geometry & MOs

Info

ID:	445630
PubChem CID:	135268656
Reduced:	FON7H24C26 (1)
Stoich.:	ABC7D24E26 (1)
Weight, g/mol:	441.216475
ΔH_f, kcal/mol:	58.76
Dipole, Da:	3.15
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-ethyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(5-methylpyrimidin-4-yl)methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2=C3C(=NC=N2)N=CN3C)C4=NC=NC5=C4C=CC(=C5)N6CCOCC6)F

DOS

IR

Vibrations