Geometry & MOs

Info

ID:	419366
PubChem CID:	135108042
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	322.222055
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	3.63
IP(EA), eV:	-9.42(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-N-[(2,3-difluoro-4-methylphenyl)methyl]-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

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C1[C@H]([C@@H](CN1CC(=O)NCCC2=CC=C(C=C2)Cl)O)CC3=CC=NC=C3

DOS

IR

Vibrations