Geometry & MOs

Info

ID:	150708
PubChem CID:	53790403
Reduced:	F2N2H10C17 (1)
Stoich.:	A2B2C10D17 (1)
Weight, g/mol:	507.259403
ΔH_f, kcal/mol:	11.5
Dipole, Da:	4.39
IP(EA), eV:	-7.92(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-imidazol-1-yl-6-propan-2-ylpyrimidin-4-yl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C3C=C(C=CC3=C4C2=CN=CN4)F)F

DOS

IR

Vibrations