Geometry & MOs

Info

ID:	310536
PubChem CID:	126581747
Reduced:	NO3C22H31 (1)
Stoich.:	AB3C22D31 (1)
Weight, g/mol:	319.251129
ΔH_f, kcal/mol:	-121.45
Dipole, Da:	5.28
IP(EA), eV:	-9.1(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-5-amino-4-[(6S)-6-(3-ethoxypropyl)-5,6,7,8-tetrahydronaphthalen-2-yl]pentan-1-ol

Drug info:

PubChemData

Smile

CCC/C=C\CO[C@H]1CCC2=C(C1)C=CC(=C2)[C@H]3CCCOC(=O)NC3

DOS

IR

Vibrations