Geometry & MOs

Info

ID:	235372
PubChem CID:	92309679
Reduced:	ClON2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	-9.75
Dipole, Da:	4.05
IP(EA), eV:	-8.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-3-[2-(4-methoxyphenyl)ethyl]-5-phenyl-3a,6a-dihydropyrrolo[3,4-d]triazole-4,6-dione

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2CC3=C(C2)C(=CC=C3)CNC4=CC(=CC=C4)Cl

DOS

IR

Vibrations