Geometry & MOs

Info

ID:	315933
PubChem CID:	126629462
Reduced:	BrN3C17H20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	336.04471
ΔH_f, kcal/mol:	51.52
Dipole, Da:	4.71
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-N-[N'-[(Z)-hept-4-enyl]carbamimidoyl]-2-iodoiminoacetamide

Drug info:

PubChemData

Smile

CC1=NC2(C3=C(CC24CCCCC4)C=CC(=C3)Br)N=C1N

DOS

IR

Vibrations