Geometry & MOs

Info

ID:	85884
PubChem CID:	49879899
Reduced:	ClSO2N3C19H19 (1)
Stoich.:	ABC2D3E19F19 (1)
Weight, g/mol:	341.153299
ΔH_f, kcal/mol:	30.15
Dipole, Da:	4.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.762305
Charge, e:	-1

Chem-info

IUPAC name:

N',N'-dimethyl-N-(2-phenylquinazolin-4-yl)propane-1,3-diamine;chloride

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations