Geometry & MOs

Info

ID:	290518
PubChem CID:	104643456
Reduced:	O2N3C10H23 (1)
Stoich.:	A2B3C10D23 (1)
Weight, g/mol:	311.128821
ΔH_f, kcal/mol:	-115.07
Dipole, Da:	3.38
IP(EA), eV:	-9.44(1.08)
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-ylmethyl)-4-chloro-6-methoxyphenol

Drug info:

PubChemData

Smile

CC(C)CNC(=O)CN(C)CC(CN)O

DOS

IR

Vibrations