Geometry & MOs

Info

ID:	173619
PubChem CID:	75663384
Reduced:	N2O2C11H15 (1)
Stoich.:	A2B2C11D15 (1)
Weight, g/mol:	320.139902
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	4.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762351
Charge, e:	-1

Chem-info

IUPAC name:

2-[4-(oxolan-2-ylmethylamino)quinazolin-2-yl]phenolate

Drug info:

PubChemData

Smile

CCCC1=C(C2=C([NH2+]N=C2C)OC1=O)C

DOS

IR

Vibrations