Geometry & MOs

Info

ID:	291358
PubChem CID:	111978732
Reduced:	ON4C21H32 (1)
Stoich.:	AB4C21D32 (1)
Weight, g/mol:	564.05969
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	5.15
IP(EA), eV:	-8.9(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[N'-[(4-bromophenyl)methyl]-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC(=O)N1CCC(CC1)CC2=CC=CC=C2)NC3CC3C

DOS

IR

Vibrations