Geometry & MOs

Info

ID:	141114
PubChem CID:	52820749
Reduced:	N3O4C25H33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-141.6
Dipole, Da:	7.42
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OC[C@@H](CN2CCN(CC2)C(=O)CCCC3=CC=CC=C3)O

DOS

IR

Vibrations