Geometry & MOs

Info

ID:	83216
PubChem CID:	49857294
Reduced:	BN3O5C21H28 (1)
Stoich.:	AB3C5D21E28 (1)
Weight, g/mol:	351.183444
ΔH_f, kcal/mol:	-253.89
Dipole, Da:	6.09
IP(EA), eV:	-9.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B([C@H](CC(C)C)NC(=O)CC(C1=CC(=CC=C1)OC)NC(=O)C2=CN=CC=C2)(O)O

DOS

IR

Vibrations