Geometry & MOs

Info

ID:	76773
PubChem CID:	48425358
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-76.72
Dipole, Da:	8.57
IP(EA), eV:	-9.94(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-methylphenyl)-2-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC2=C(N=C1)ON=C2CC(C)(C)C

DOS

IR

Vibrations