Geometry & MOs

Info

ID:	299182
PubChem CID:	117675433
Reduced:	O13C19H32 (1)
Stoich.:	A13B19C32 (1)
Weight, g/mol:	481.280138
ΔH_f, kcal/mol:	-603.4
Dipole, Da:	5.42
IP(EA), eV:	-9.91(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-3-[4-(4-methylpiperazin-1-yl)anilino]-5-[(3R)-1-propanoylpyrrolidin-3-yl]oxypyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1[C@H](C([C@@H](C(O1)CO)O)O)O[C@H]2[C@H](C([C@@H](C(O2)COC(=O)C)OC(=O)CC(C)O)O)O

DOS

IR

Vibrations