Geometry & MOs

Info

ID:	307051
PubChem CID:	125264803
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-95.6
Dipole, Da:	5.09
IP(EA), eV:	-9.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aS,7aR)-2-[(dimethylamino)methyl]-1-methyl-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-(3H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@@H]2[C@H](CCN2C(=O)C3=CC=CO3)O[C@H]1COCC4=CN=CC=C4

DOS

IR

Vibrations