Geometry & MOs

Info

ID:	156284
PubChem CID:	56369975
Reduced:	O2F3N3C23H26 (1)
Stoich.:	A2B3C3D23E26 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-218.6
Dipole, Da:	3.25
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,4-dimethoxyphenyl)ethyl]-4-[2-(4-methylphenyl)acetyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCCC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations