Geometry & MOs

Info

ID:	136739
PubChem CID:	52091699
Reduced:	ON8C25H33 (1)
Stoich.:	AB8C25D33 (1)
Weight, g/mol:	443.173273
ΔH_f, kcal/mol:	121.19
Dipole, Da:	12.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.895837
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methoxyphenoxy)-9-(3-phenylpropyl)-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-4-one

Drug info:

PubChemData

Smile

CC[NH+](CC)CCNC1=NC(=C2C=NN(C2=N1)C3=CC=CC=C3)NC4=C5C[C@@H](CCC5=NO4)C

DOS

IR

Vibrations