Geometry & MOs

Info

ID:	52573
PubChem CID:	12015496
Reduced:	NO2C20H31 (1)
Stoich.:	AB2C20D31 (1)
Weight, g/mol:	419.282429
ΔH_f, kcal/mol:	-87.03
Dipole, Da:	1.37
IP(EA), eV:	-8.69(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,7R,8aR)-4,4,7-trimethyl-2-phenyl-3-[(E)-4-phenylmethoxybut-2-enyl]-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine

Drug info:

PubChemData

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C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)NC/C=C/C2=CC=CC=C2OC

DOS

IR

Vibrations