Geometry & MOs

Info

ID:	210654
PubChem CID:	80835825
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	246.091689
ΔH_f, kcal/mol:	-8.42
Dipole, Da:	3.24
IP(EA), eV:	-8.21(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-fluoropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=CC=C1)N2CCCCCC2C)[N+](=O)[O-]

DOS

IR

Vibrations