Geometry & MOs

Info

ID:	79749
PubChem CID:	49830250
Reduced:	ClN3O4C24H24 (1)
Stoich.:	AB3C4D24E24 (1)
Weight, g/mol:	428.184841
ΔH_f, kcal/mol:	-96.64
Dipole, Da:	4.07
IP(EA), eV:	-8.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(benzylamino)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)quinazolin-8-yl]oxyethanol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CNCC2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations