Geometry & MOs

Info

ID:	312132
PubChem CID:	126603325
Reduced:	SN2O3C18H18 (1)
Stoich.:	AB2C3D18E18 (1)
Weight, g/mol:	407.95594
ΔH_f, kcal/mol:	-50.61
Dipole, Da:	6.36
IP(EA), eV:	-8.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-iodo-2-[(iodoamino)methyl]-4-propan-2-ylcyclopentan-1-amine

Drug info:

PubChemData

Smile

COC1=CCC2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)S(=O)C

DOS

IR

Vibrations