Geometry & MOs

Info

ID:	422052
PubChem CID:	135117095
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-82.13
Dipole, Da:	5.35
IP(EA), eV:	-8.88(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6R,7aR)-2-methyl-6-[methyl(4-phenoxybutyl)amino]-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyridin-3-one

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations