Geometry & MOs

Info

ID:	25029
PubChem CID:	617286
Reduced:	NO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	267.125929
ΔH_f, kcal/mol:	-28.11
Dipole, Da:	1.34
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-2-(4-methoxyphenyl)-4H-3,1-benzoxazine

Drug info:

PubChemData

Smile

CCC1C2=CC=CC=C2N=C(O1)C3=CC=C(C=C3)OC

DOS

IR

Vibrations