Geometry & MOs

Info

ID:	306850
PubChem CID:	125258781
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	332.221226
ΔH_f, kcal/mol:	-110.06
Dipole, Da:	3.01
IP(EA), eV:	-8.76(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-1-[(1-methylpyrazol-4-yl)methyl]-4-(oxan-4-ylmethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

COCCN1[C@H]2CCN([C@H]2CCC1=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations