Geometry & MOs

Info

ID:	417137
PubChem CID:	135091436
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	370.236876
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	0.27
IP(EA), eV:	-9.62(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1S,5S,6R,7R)-6-[(dimethylamino)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-3-yl]pyridin-4-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)CCC3=CC=NN3C

DOS

IR

Vibrations