Geometry & MOs

Info

ID:	444499
PubChem CID:	135262636
Reduced:	O3N6C24H32 (1)
Stoich.:	A3B6C24D32 (1)
Weight, g/mol:	448.09714
ΔH_f, kcal/mol:	-46.61
Dipole, Da:	4.24
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[4-(6-iodo-2-methoxypyrimidin-4-yl)piperazin-2-yl]propanoate

Drug info:

PubChemData

Smile

CC1CC(CCN1)C2=CC3=C(C=C2C)C=NN3C4=CC(=NC(=N4)OC)N5CCO[C@@H](C5)CO

DOS

IR

Vibrations