Geometry & MOs

Info

ID:	364894
PubChem CID:	127316482
Reduced:	O2N3C22H35 (1)
Stoich.:	A2B3C22D35 (1)
Weight, g/mol:	369.166411
ΔH_f, kcal/mol:	-117.21
Dipole, Da:	4.25
IP(EA), eV:	-8.68(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations