Geometry & MOs

Info

ID:	243336
PubChem CID:	99218621
Reduced:	SN3O4C23H33 (1)
Stoich.:	AB3C4D23E33 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-146.29
Dipole, Da:	3.7
IP(EA), eV:	-8.98(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carbonyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCCCC(=O)NC2=CC(=NN2[C@@H]3CCS(=O)(=O)C3)C(C)(C)C

DOS

IR

Vibrations