Geometry & MOs

Info

ID:	422269
PubChem CID:	135117536
Reduced:	SN4O4C17H26 (1)
Stoich.:	AB4C4D17E26 (1)
Weight, g/mol:	359.257277
ΔH_f, kcal/mol:	-152.1
Dipole, Da:	3.4
IP(EA), eV:	-9.11(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-6-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl-methylamino]-2-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)C3=CC=NN3)NC(=O)CSC

DOS

IR

Vibrations