Geometry & MOs

Info

ID:	79754
PubChem CID:	49830262
Reduced:	ON2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	444.195011
ΔH_f, kcal/mol:	-9.97
Dipole, Da:	3.04
IP(EA), eV:	-8.09(-0.48)
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-phenylquinazolin-4-amine

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1N=C(N=C2NCC3CCCCC3)N4CCOC5=CC=CC=C54

DOS

IR

Vibrations