Geometry & MOs

Info

ID:	65398
PubChem CID:	29214856
Reduced:	SN3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	394.165032
ΔH_f, kcal/mol:	41.47
Dipole, Da:	2.8
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-1-methyl-1-[[1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carbonyl]amino]thiourea

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(S1)CN2CCC(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations