Geometry & MOs

Info

ID:	313681
PubChem CID:	126617186
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	366.267114
ΔH_f, kcal/mol:	-83.97
Dipole, Da:	3.14
IP(EA), eV:	-9.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5R)-N-[(2S)-2-amino-3-naphthalen-2-ylpropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)N(N=C2Br)C3CCCCO3

DOS

IR

Vibrations