Geometry & MOs

Info

ID:	136829
PubChem CID:	52108420
Reduced:	ON4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	317.234137
ΔH_f, kcal/mol:	36.25
Dipole, Da:	3.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.103743
Charge, e:	1

Chem-info

IUPAC name:

4-N,4-N-diethyl-2-N-(3-propan-2-yloxypropyl)quinazolin-3-ium-2,4-diamine

Drug info:

PubChemData

Smile

CN(C)C1=[NH+]C(=NC2=CC=CC=C21)NC3=CC(=CC=C3)O

DOS

IR

Vibrations