Geometry & MOs

Info

ID:	157458
PubChem CID:	56430278
Reduced:	O3N4H22C26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	322.10446
ΔH_f, kcal/mol:	27.18
Dipole, Da:	6.88
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)/C=C/C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations