Geometry & MOs

Info

ID:	434002
PubChem CID:	135174152
Reduced:	SN3O3C26H37 (1)
Stoich.:	AB3C3D26E37 (1)
Weight, g/mol:	374.09938
ΔH_f, kcal/mol:	-80.02
Dipole, Da:	7.3
IP(EA), eV:	-8.97(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(2-bromophenyl)methoxy]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC(=C2)CNCC3CCNC3)OCC=C

DOS

IR

Vibrations