Geometry & MOs

Info

ID:	305398
PubChem CID:	124807109
Reduced:	ON2C14H19 (2)
Stoich.:	AB2C14D19 (2)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	5.92
IP(EA), eV:	-8.61(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

Drug info:

PubChemData

Smile

CCCN(C(C)C)C(=O)C1CCN(CC1)CC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)OC

DOS

IR

Vibrations