Geometry & MOs

Info

ID:	139954
PubChem CID:	52621396
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	284.116092
ΔH_f, kcal/mol:	-82.29
Dipole, Da:	3.25
IP(EA), eV:	-8.29(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methyl-3-nitrophenyl)methyl]-2,3-dihydro-1,4-benzoxazine

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1OCCN2CCOC3=CC=CC=C32

DOS

IR

Vibrations