Geometry & MOs

Info

ID:	236997
PubChem CID:	92716687
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-44.01
Dipole, Da:	1.74
IP(EA), eV:	-8.04(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-butyl-7-methyl-3,4-dihydro-2H-1,4-benzoxazine

Drug info:

PubChemData

Smile

CCCC[C@@H]1CNC2=C(O1)C=C(C=C2)C

DOS

IR

Vibrations