Geometry & MOs

Info

ID:	448349
PubChem CID:	135290288
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	404.05023
ΔH_f, kcal/mol:	-191.21
Dipole, Da:	5.12
IP(EA), eV:	-9.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-[2-bromo-4-chloro-5-(3-methoxypropoxy)phenyl]-2,2-dimethyl-1-nitrosopyrrolidine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=CC1)C2=C(C=C(C=C2)C3CC3C(=O)O)OC

DOS

IR

Vibrations