Geometry & MOs

Info

ID:	291292
PubChem CID:	111978492
Reduced:	N4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	412.1274
ΔH_f, kcal/mol:	83.91
Dipole, Da:	1.64
IP(EA), eV:	-8.7(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-2-fluorophenyl)methyl]-N'-methyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide

Drug info:

PubChemData

Smile

CN=C(NCC1=CC=CC2=CC=CC=C21)N3CCC(C3)N4CC=CC4

DOS

IR

Vibrations