Geometry & MOs

Info

ID:	138191
PubChem CID:	52326619
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	333.196688
ΔH_f, kcal/mol:	-86.29
Dipole, Da:	2.31
IP(EA), eV:	-9.35(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[(2R)-1-(naphthalene-2-carbonylamino)-3-phenylpropan-2-yl]azanium

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)C(=O)CCCCC2=CC=C(C=C2)Br

DOS

IR

Vibrations