Geometry & MOs

Info

ID:	344605
PubChem CID:	127268189
Reduced:	FON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	370.21689
ΔH_f, kcal/mol:	0.68
Dipole, Da:	7.1
IP(EA), eV:	-8.82(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-cyano-2-fluorophenyl)piperazin-1-yl]-N-cyclopentyl-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

CC(C1CC1)N(C2CC2)C(=O)CN3CCN(CC3)C4=C(C=C(C=C4)C#N)F

DOS

IR

Vibrations