Geometry & MOs

Info

ID:	196927
PubChem CID:	78897753
Reduced:	ClN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	431.197569
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	6.25
IP(EA), eV:	-8.76(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC(CO)NC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations