Geometry & MOs

Info

ID:	200997
PubChem CID:	79472249
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	298.125218
ΔH_f, kcal/mol:	-13.52
Dipole, Da:	1.5
IP(EA), eV:	-9.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)quinazoline-4,6-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)C2=NC3=C(S2)N=CC=C3

DOS

IR

Vibrations