Geometry & MOs

Info

ID:	374225
PubChem CID:	131325604
Reduced:	IN2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	331.00693
ΔH_f, kcal/mol:	21.13
Dipole, Da:	1.92
IP(EA), eV:	-8.42(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (7R)-7-amino-2-iodo-5,6,7,8-tetrahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2C[C@@H]1N)I)N

DOS

IR

Vibrations