Geometry & MOs

Info

ID:	291308
PubChem CID:	111978573
Reduced:	BrIN5C19H27 (1)
Stoich.:	ABC5D19E27 (1)
Weight, g/mol:	517.03381
ΔH_f, kcal/mol:	70.87
Dipole, Da:	8.67
IP(EA), eV:	-8.96(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-N'-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1=CC=C(C=C1)Br)N2CCC(C2)CC3=CN(N=C3)C.I

DOS

IR

Vibrations