Geometry & MOs

Info

ID:	415010
PubChem CID:	135087990
Reduced:	NOC5H6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	386.256943
ΔH_f, kcal/mol:	-86.03
Dipole, Da:	2.36
IP(EA), eV:	-9.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations