Geometry & MOs

Info

ID:	83318
PubChem CID:	49857445
Reduced:	NOC18H25 (1)
Stoich.:	ABC18D25 (1)
Weight, g/mol:	364.224974
ΔH_f, kcal/mol:	-39.85
Dipole, Da:	3.89
IP(EA), eV:	-8.98(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4aS,8aS)-1-(4-acetyloxy-3-oxobutyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalene-2-carboxylate

Drug info:

PubChemData

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C[C@@]12CC[C@@H](C1(C)C)CC(=O)[C@@H]2NCC3=CC=CC=C3

DOS

IR

Vibrations