Geometry & MOs

Info

ID:	375302
PubChem CID:	131499881
Reduced:	ClN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	19.9
Dipole, Da:	2.14
IP(EA), eV:	-9.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (7R)-7-amino-5,6,7,8-tetrahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C1=C2C=CC=C(C2=NC(=C1)C)Cl)N

DOS

IR

Vibrations