Geometry & MOs

Info

ID:	79755
PubChem CID:	49830264
Reduced:	ON4H24C29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	474.205576
ΔH_f, kcal/mol:	103.1
Dipole, Da:	3.51
IP(EA), eV:	-8.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-(4-methoxyphenyl)quinazolin-4-amine

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2N1C3=NC4=C(C=CC=C4C5=CC=CC=C5)C(=N3)NCC6=CC=CC=C6

DOS

IR

Vibrations