Geometry & MOs

Info

ID:	152113
PubChem CID:	56310973
Reduced:	N2O3C26H34 (1)
Stoich.:	A2B3C26D34 (1)
Weight, g/mol:	356.246378
ΔH_f, kcal/mol:	-69.63
Dipole, Da:	2.98
IP(EA), eV:	-8.36(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[cyclopropylmethyl(1-phenylethyl)amino]ethanone

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)N3CCCC3C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations