Geometry & MOs

Info

ID:	15668
PubChem CID:	447099
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-15.74
Dipole, Da:	5.92
IP(EA), eV:	-7.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-dimethoxypropan-2-yl)pyrrolo[3,2-f]quinazoline-1,3-diamine

Drug info:

PubChemData

Smile

COCC(COC)N1C=CC2=C1C=CC3=C2C(=NC(=N3)N)N

DOS

IR

Vibrations