Geometry & MOs

Info

ID:	299506
PubChem CID:	117687106
Reduced:	ON4C13H26 (1)
Stoich.:	AB4C13D26 (1)
Weight, g/mol:	364.139862
ΔH_f, kcal/mol:	-48.34
Dipole, Da:	6.67
IP(EA), eV:	-8.59(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylpiperazin-1-yl)-[3-[3-(trifluoromethoxy)phenyl]phenyl]methanone

Drug info:

PubChemData

Smile

CN1CCC(CC1)C(=O)CCCCCN=C(N)N

DOS

IR

Vibrations