Geometry & MOs

Info

ID:	285923
PubChem CID:	104137881
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-77.85
Dipole, Da:	6.07
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-6-ethylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)NCC(C)(C)N(C)C

DOS

IR

Vibrations