Geometry & MOs

Info

ID:	306738
PubChem CID:	125236677
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-87.86
Dipole, Da:	5.04
IP(EA), eV:	-8.85(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,4R,8bS)-2-acetyl-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)CN2C[C@@H]3C[C@H](O[C@H]3C2)CC(=O)N4CCCC4

DOS

IR

Vibrations