Geometry & MOs

Info

ID:	158028
PubChem CID:	56459418
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	372.159769
ΔH_f, kcal/mol:	-10.46
Dipole, Da:	2.58
IP(EA), eV:	-8.32(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-(2-fluorophenoxy)ethyl]-6,7-dimethoxy-2-N-methylquinazoline-2,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC(=N2)NCC3=CC=CC=C3CN4CCCCC4)N)OC

DOS

IR

Vibrations