Geometry & MOs

Info

ID:	349379
PubChem CID:	127275166
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	379.247107
ΔH_f, kcal/mol:	-136.24
Dipole, Da:	2.97
IP(EA), eV:	-9.17(0.38)
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-[2-(morpholine-4-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C)NC(=O)CN2CCCCC2C(=O)N3CCOCC3

DOS

IR

Vibrations