Geometry & MOs

Info

ID:	272552
PubChem CID:	103745094
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-45.77
Dipole, Da:	3.52
IP(EA), eV:	-8.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-3-(quinazolin-4-ylamino)pentan-1-ol

Drug info:

PubChemData

Smile

CCSCCCN1C2=C(C=CC=N2)OC1=O

DOS

IR

Vibrations