Geometry & MOs

Info

ID:	85516
PubChem CID:	49876286
Reduced:	OSBr2N4H12C16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	375.137649
ΔH_f, kcal/mol:	100.24
Dipole, Da:	6.44
IP(EA), eV:	-9.03(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-N-benzyl-2-N-(4-methylphenyl)quinazoline-2,4-diamine;chloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NNC(=S)N2N/C=C\3/C=C(C=C(C3=O)Br)Br

DOS

IR

Vibrations