Geometry & MOs

Info

ID:	421928
PubChem CID:	135116857
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	276.138639
ΔH_f, kcal/mol:	-107.37
Dipole, Da:	5.26
IP(EA), eV:	-8.78(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[4-(dimethylamino)-5-fluoropyrimidin-2-yl]amino]ethyl]phenol

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC(C)(C)C(=O)N(CCO)CC2=C(NC=N2)C)C

DOS

IR

Vibrations