Geometry & MOs

Info

ID:	434325
PubChem CID:	135174689
Reduced:	NO3C10H16 (2)
Stoich.:	AB3C10D16 (2)
Weight, g/mol:	442.02143
ΔH_f, kcal/mol:	-162.69
Dipole, Da:	7.83
IP(EA), eV:	-9.9(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(2-bromo-4-chlorophenyl)methoxy]-5-chlorophenyl]methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=NO1)COCCCCOCCC2=CC(=NO2)CCOCCCOC

DOS

IR

Vibrations