Geometry & MOs

Info

ID:	312205
PubChem CID:	126603580
Reduced:	O2F3N4H17C20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	478.258006
ΔH_f, kcal/mol:	-123.26
Dipole, Da:	4.94
IP(EA), eV:	-8.31(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(ethoxymethyl)furan-2-yl]-N-[3-(prop-2-enoxymethyl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(NC2=NN(C3=CC=CC=C32)CC4=CN=C(C=C4)C(F)(F)F)O

DOS

IR

Vibrations