Geometry & MOs

Info

ID:	48617
PubChem CID:	11110049
Reduced:	ON3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	321.195346
ΔH_f, kcal/mol:	19.7
Dipole, Da:	6.48
IP(EA), eV:	-9.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-imidazol-1-yl-3-[(1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-2-yl)methyl]-1H-indole

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=C(C2=CC=CC=C2C1)CC3=CC=NC=C3

DOS

IR

Vibrations