Geometry & MOs

Info

ID:	307052
PubChem CID:	125264805
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	2.25
IP(EA), eV:	-8.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aR,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

CN1[C@@H]2CCN(C[C@@H]2C[C@H]1CN(C)C)C(=O)C3=NC=CC3

DOS

IR

Vibrations