Geometry & MOs

Info

ID:	142175
PubChem CID:	52995722
Reduced:	BrClO2S2N5C16H17 (1)
Stoich.:	ABC2D2E5F16G17 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	-12.16
Dipole, Da:	6.6
IP(EA), eV:	-8.8(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,2-N-dimethyl-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)C4=CC=C(S4)Br.Cl

DOS

IR

Vibrations