Geometry & MOs

Info

ID:	363732
PubChem CID:	127313362
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	384.17731
ΔH_f, kcal/mol:	-45.71
Dipole, Da:	5.85
IP(EA), eV:	-8.7(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NCCN2CCN(CC2)C(=O)C3CCC3

DOS

IR

Vibrations