Geometry & MOs

Info

ID:	147446
PubChem CID:	53787102
Reduced:	O5C39H48 (1)
Stoich.:	A5B39C48 (1)
Weight, g/mol:	189.078979
ΔH_f, kcal/mol:	-166.99
Dipole, Da:	3.7
IP(EA), eV:	-8.44(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)oxazine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)(C)C2=CC(=C(C=C2)OCC(COC3=C(C=C(C=C3)C(C)(C)C4=CC(=C(C=C4)OC)C)C)O)C)OC

DOS

IR

Vibrations