Geometry & MOs

Info

ID:	161140
PubChem CID:	57390871
Reduced:	NOH10C11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	561.098889
ΔH_f, kcal/mol:	-2.23
Dipole, Da:	9.97
IP(EA), eV:	-8.84(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2-chlorophenyl)methyl]-1-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)OC)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations