Geometry & MOs

Info

ID:	196734
PubChem CID:	78871025
Reduced:	O3N4C23H36 (1)
Stoich.:	A3B4C23D36 (1)
Weight, g/mol:	411.116524
ΔH_f, kcal/mol:	-120.2
Dipole, Da:	7.87
IP(EA), eV:	-8.08(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyano-3-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)NCC(C(C)C)N3CCN(CC3)C

DOS

IR

Vibrations