Geometry & MOs

Info

ID:	309619
PubChem CID:	126550973
Reduced:	SN7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	291.140533
ΔH_f, kcal/mol:	128.77
Dipole, Da:	5.5
IP(EA), eV:	-8.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-tert-butylsulfanylquinazolin-4-yl)amino]propan-2-ol

Drug info:

PubChemData

Smile

CCC1=C(C2=C(N1)N=C(N=C2N3CC4C(C3)C4N)SC5=CC6=C(C=CC=N6)N=C5)C

DOS

IR

Vibrations