Geometry & MOs

Info

ID:	26404
PubChem CID:	646691
Reduced:	O3N6C18H28 (1)
Stoich.:	A3B6C18D28 (1)
Weight, g/mol:	272.082874
ΔH_f, kcal/mol:	-29.04
Dipole, Da:	5.37
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydron;2-N-phenylquinazoline-2,4-diamine;chloride

Drug info:

PubChemData

Smile

CC(C)CC(C1=NN=NN1CCOC)N2CCN(CC2)C(=O)C3=CC=CO3

DOS

IR

Vibrations