Geometry & MOs

Info

ID:	422261
PubChem CID:	135117525
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	330.205576
ΔH_f, kcal/mol:	-34.83
Dipole, Da:	3.48
IP(EA), eV:	-8.95(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4aR,6R,7aR)-2-methyl-3-oxo-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-6-yl]-methylamino]-N-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CN=C(S3)C4=CC=CC=C4OC)CO

DOS

IR

Vibrations