Geometry & MOs

Info

ID:	306720
PubChem CID:	125235770
Reduced:	O3N4C18H28 (1)
Stoich.:	A3B4C18D28 (1)
Weight, g/mol:	348.216141
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	3.89
IP(EA), eV:	-8.76(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,3aS,7aR)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-1-yl]-1-(oxazinan-2-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CC[C@@H]3[C@@H](C2)CO[C@H]3CC(=O)N4CCCCO4

DOS

IR

Vibrations