Geometry & MOs

Info

ID:	39656
PubChem CID:	8141760
Reduced:	O2F3N3C19H26 (1)
Stoich.:	A2B3C3D19E26 (1)
Weight, g/mol:	421.257671
ΔH_f, kcal/mol:	-253.35
Dipole, Da:	4.06
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations