Geometry & MOs

Info

ID:	433963
PubChem CID:	135174110
Reduced:	BrON3C19H20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	432.09679
ΔH_f, kcal/mol:	60.67
Dipole, Da:	4.52
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(E)-4-(2-bromo-4-chlorophenyl)but-3-enyl]phenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC=C(C=C2)OCC3=C(C=C(C=C3)C#N)Br

DOS

IR

Vibrations