Geometry & MOs

Info

ID:	291227
PubChem CID:	111978211
Reduced:	IN5C24H30 (1)
Stoich.:	AB5C24D30 (1)
Weight, g/mol:	566.07534
ΔH_f, kcal/mol:	73.88
Dipole, Da:	2.02
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]amino]cyclohexyl]carbamate;hydroiodide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)N2CCC(CC2)NC(=NC)NCC3=CC=CC4=CC=CC=C43.I

DOS

IR

Vibrations