Geometry & MOs

Info

ID:	415149
PubChem CID:	135088140
Reduced:	ON3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	4.33
IP(EA), eV:	-8.99(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations