Geometry & MOs

Info

ID:	45816
PubChem CID:	10517841
Reduced:	NOC20H23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	293.271865
ΔH_f, kcal/mol:	-4.23
Dipole, Da:	2.57
IP(EA), eV:	-8.97(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S,3aR,6aR)-1-pentyl-2-propyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]-N-ethylformamide

Drug info:

PubChemData

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C1CN2CCC1[C@H]([C@@H]2C(C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations