Geometry & MOs

Info

ID:	269726
PubChem CID:	103618823
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	357.01312
ΔH_f, kcal/mol:	-167.58
Dipole, Da:	1.96
IP(EA), eV:	-9.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(2-bromo-5-chlorophenyl)methanone

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C(=O)C3=C(C=C(C=C3)O)O

DOS

IR

Vibrations