Geometry & MOs

Info

ID:	291290
PubChem CID:	111978483
Reduced:	IN4C22H29 (1)
Stoich.:	AB4C22D29 (1)
Weight, g/mol:	394.11684
ΔH_f, kcal/mol:	80.07
Dipole, Da:	2.63
IP(EA), eV:	-8.52(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(4-bromo-2-fluorophenyl)methyl]-3-(2,5-dihydropyrrol-1-yl)-N-ethylpyrrolidine-1-carboximidamide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=CC2=CC=CC=C21)N3CCC(C3)N4CC=CC4.I

DOS

IR

Vibrations