Geometry & MOs

Info

ID:	360542
PubChem CID:	127301187
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	379.247107
ΔH_f, kcal/mol:	-188.89
Dipole, Da:	2.47
IP(EA), eV:	-9.41(-0.26)
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)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations