Geometry & MOs

Info

ID:	242965
PubChem CID:	99214590
Reduced:	SO3N4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	424.244996
ΔH_f, kcal/mol:	-19.59
Dipole, Da:	4.04
IP(EA), eV:	-8.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1CN2CCN(CC2)C3=CC=CC(=C3)NC(=O)/C=C/C4=CC=C(C=C4)S(=O)(=O)NC5CC5

DOS

IR

Vibrations