Geometry & MOs

Info

ID:	46584
PubChem CID:	10525372
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	407.17274
ΔH_f, kcal/mol:	-135.5
Dipole, Da:	3.6
IP(EA), eV:	-9.02(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NCCC(=O)N(CCC(=O)O)CC1=CC=CC=C1

DOS

IR

Vibrations