Geometry & MOs

Info

ID:	57608
PubChem CID:	22426142
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	351.110673
ΔH_f, kcal/mol:	-114.55
Dipole, Da:	4.89
IP(EA), eV:	-9.16(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCN1CC2=C(C=CC3=C2OC(=O)C=C3C)OC1

DOS

IR

Vibrations