Geometry & MOs

Info

ID:	82970
PubChem CID:	49856910
Reduced:	ClNO3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	371.128821
ΔH_f, kcal/mol:	-113.4
Dipole, Da:	4.41
IP(EA), eV:	-9.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-chlorophenyl)-3-(5,6,7,8-tetrahydronaphthalene-1-carbonylamino)propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC(=CC=C1)Cl)NC(=O)[C@H]2CCCC3=CC=CC=C23

DOS

IR

Vibrations