Geometry & MOs

Info

ID:	325059
PubChem CID:	126679416
Reduced:	O2N7C49H51 (1)
Stoich.:	A2B7C49D51 (1)
Weight, g/mol:	304.0688
ΔH_f, kcal/mol:	106.51
Dipole, Da:	8.81
IP(EA), eV:	-7.92(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-6-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NNC3=CC=C(C4=CC=CC=C43)NNC5=CC=C(C6=CC=CC=C65)NNC7=CC8=C(C=C7C)N(CCC8)CCC

DOS

IR

Vibrations