Geometry & MOs

Info

ID:	434072
PubChem CID:	135174229
Reduced:	O2N3C20H23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	433.09204
ΔH_f, kcal/mol:	16.92
Dipole, Da:	4.74
IP(EA), eV:	-9.02(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)COC2=CC=CC(=C2)CNCC3CNC3

DOS

IR

Vibrations