Geometry & MOs

Info

ID:	414463
PubChem CID:	135087421
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	364.179835
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	2.55
IP(EA), eV:	-9.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-4-[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]piperazin-2-one

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)C(=O)CN5CCOC5=O

DOS

IR

Vibrations