Geometry & MOs

Info

ID:	141113
PubChem CID:	52820671
Reduced:	N2O3C19H30 (1)
Stoich.:	A2B3C19D30 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-145.0
Dipole, Da:	3.08
IP(EA), eV:	-8.74(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2R)-2-hydroxy-3-[4-(4-phenylbutanoyl)piperazin-1-yl]propoxy]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CCN(CC1)CCOC2=CC=CC=C2

DOS

IR

Vibrations