Geometry & MOs

Info

ID:	85946
PubChem CID:	49880434
Reduced:	ClN4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	400.067579
ΔH_f, kcal/mol:	63.86
Dipole, Da:	2.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750049
Charge, e:	-1

Chem-info

IUPAC name:

6,7-dimethoxy-N-[4-(trifluoromethoxy)phenyl]quinazolin-4-amine;chloride

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC2=NC(=CC(=N2)C)C.[Cl-]

DOS

IR

Vibrations