Geometry & MOs

Info

ID:	419283
PubChem CID:	135107886
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	24.16
Dipole, Da:	5.18
IP(EA), eV:	-8.78(-0.35)
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-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)CN(C)CC(=O)NC3=NC=C(C=C3)C

DOS

IR

Vibrations