Geometry & MOs

Info

ID:	29786
PubChem CID:	837269
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	319.053069
ΔH_f, kcal/mol:	-90.26
Dipole, Da:	2.77
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dichloro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)N[C@@H]2CCCC3=CC=CC=C23)OC

DOS

IR

Vibrations