Geometry & MOs

Info

ID:	59596
PubChem CID:	24877537
Reduced:	F2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	377.118712
ΔH_f, kcal/mol:	-143.6
Dipole, Da:	4.06
IP(EA), eV:	-8.78(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(2,4-difluorophenoxy)quinazolin-2-yl]amino]-2-(hydroxymethyl)propane-1,3-diol

Drug info:

PubChemData

Smile

C1=CC2=NC(=NC=C2C=C1OC3=C(C=C(C=C3)F)F)NC(CCO)CCO

DOS

IR

Vibrations