Geometry & MOs

Info

ID:	161536
PubChem CID:	57391925
Reduced:	N4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	67.43
Dipole, Da:	5.53
IP(EA), eV:	-9.57(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)C3N4C(=CN=N4)C5=CC=CC=N5

DOS

IR

Vibrations