Geometry & MOs

Info

ID:	406771
PubChem CID:	135078580
Reduced:	ClNPO3C11H23 (1)
Stoich.:	ABCD3E11F23 (1)
Weight, g/mol:	483.17729
ΔH_f, kcal/mol:	-214.39
Dipole, Da:	1.81
IP(EA), eV:	-9.91(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,7R)-2-(2-bromophenyl)-3-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4,4,7-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazine

Drug info:

PubChemData

Smile

CCOP(=O)(N1CC1CCCCCCl)OCC

DOS

IR

Vibrations