Geometry & MOs

Info

ID:	333894
PubChem CID:	127252446
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	4.37
IP(EA), eV:	-8.11(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,9aR)-4-methyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-1-yl]-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)CN2CC[C@@H]3[C@H]2CCCCN3)OC

DOS

IR

Vibrations