Geometry & MOs

Info

ID:	151913
PubChem CID:	56310738
Reduced:	BrO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	12.31
Dipole, Da:	2.46
IP(EA), eV:	-9.13(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN=C(O3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations