Geometry & MOs

Info

ID:	417957
PubChem CID:	135103174
Reduced:	FN6C17H19 (1)
Stoich.:	AB6C17D19 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	63.26
Dipole, Da:	4.44
IP(EA), eV:	-8.5(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N,N,5-trimethylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C=C(C=N2)CNC3=NC=C(C(=N3)N(C)C)F

DOS

IR

Vibrations