Geometry & MOs

Info

ID:	15667
PubChem CID:	447098
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	1.32
Dipole, Da:	3.86
IP(EA), eV:	-8.45(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenoxy)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=CC=CC3=C2C(=NC(=N3)N)N

DOS

IR

Vibrations