Geometry & MOs

Info

ID:	69325
PubChem CID:	46530690
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-90.77
Dipole, Da:	5.01
IP(EA), eV:	-9.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)NCCC2=CC=C(C=C2)C(=O)OC)C

DOS

IR

Vibrations