Geometry & MOs

Info

ID:	153139
PubChem CID:	56312285
Reduced:	F2O2N3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-146.06
Dipole, Da:	8.34
IP(EA), eV:	-9.13(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations