Geometry & MOs

Info

ID:	168781
PubChem CID:	75018326
Reduced:	N2F3O5C22H23 (1)
Stoich.:	A2B3C5D22E23 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-346.41
Dipole, Da:	14.17
IP(EA), eV:	-9.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(aminomethyl)-1-(naphthalen-1-ylmethyl)-4a,5,6,7,8,8a-hexahydrobenzo[d][1,3]oxazine-2,4-dione

Drug info:

PubChemData

Smile

C1CC2C(CC1C[NH3+])N(C(=O)OC2=O)CC3=CC=CC4=CC=CC=C43.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations