Geometry & MOs

Info

ID:	126733
PubChem CID:	50975472
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	307.179696
ΔH_f, kcal/mol:	18.09
Dipole, Da:	5.67
IP(EA), eV:	-9.6(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-N-methyl-N-[(3-methylpyridin-4-yl)methyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)C(=O)N2CCCC2C3=NON=C3C

DOS

IR

Vibrations