Geometry & MOs

Info

ID:	79753
PubChem CID:	49830260
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	38.6
Dipole, Da:	3.67
IP(EA), eV:	-8.29(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-8-methoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NC(=N2)N3CCOC4=CC=CC=C43)NCC5=CC=CC=C5

DOS

IR

Vibrations