Geometry & MOs

Info

ID:	434342
PubChem CID:	135174716
Reduced:	NO3C15H18 (2)
Stoich.:	AB3C15D18 (2)
Weight, g/mol:	437.08695
ΔH_f, kcal/mol:	-108.55
Dipole, Da:	1.5
IP(EA), eV:	-8.65(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[[3-[(2-bromo-4-chlorophenyl)methoxy]phenyl]methylamino]methyl]pyrrolidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOCCC2=NOC(=C2)CCC3=CC=C(C=C3)OCCCOCC4=NOC(=C4)C

DOS

IR

Vibrations