Geometry & MOs

Info

ID:	183943
PubChem CID:	77091825
Reduced:	ClN2O3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	-98.74
Dipole, Da:	3.7
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C(=O)NCC(COC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations