Geometry & MOs

Info

ID:	418304
PubChem CID:	135104149
Reduced:	NO4C23H27 (1)
Stoich.:	AB4C23D27 (1)
Weight, g/mol:	374.164185
ΔH_f, kcal/mol:	-154.93
Dipole, Da:	7.91
IP(EA), eV:	-9.4(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3C)C(=O)O

DOS

IR

Vibrations