Geometry & MOs

Info

ID:	420724
PubChem CID:	135114708
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	394.202321
ΔH_f, kcal/mol:	13.22
Dipole, Da:	5.16
IP(EA), eV:	-8.72(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C4=CC=CC(=N4)C(=O)N(C)C

DOS

IR

Vibrations