Geometry & MOs

Info

ID:	82969
PubChem CID:	49856906
Reduced:	N3O5H15C16 (1)
Stoich.:	A3B5C15D16 (1)
Weight, g/mol:	371.128821
ΔH_f, kcal/mol:	-77.05
Dipole, Da:	6.57
IP(EA), eV:	-10.44(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-chlorophenyl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC(=CC=C1)[N+](=O)[O-])NC(=O)C2=CN=CC=C2

DOS

IR

Vibrations