Geometry & MOs

Info

ID:	432368
PubChem CID:	135172501
Reduced:	Cl2O5N7C44H47 (1)
Stoich.:	A2B5C7D44E47 (1)
Weight, g/mol:	241.215413
ΔH_f, kcal/mol:	-67.83
Dipole, Da:	8.81
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-methylpiperazine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=C(C(=CC=C2)NC(=O)C3=NC4=C(N3C)CCN(C4)C)Cl)COC5=C(C=C(C(=C5)OC/C(=C/C(=C\N=C)/C#N)/C)CN6CCCC[C@H]6C(=O)O)Cl

DOS

IR

Vibrations