Geometry & MOs

Info

ID:	390874
PubChem CID:	135001391
Reduced:	BNO5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	374.151809
ΔH_f, kcal/mol:	-273.67
Dipole, Da:	1.15
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl (E)-3-(4-oxo-2,6-diphenylpyran-3-yl)prop-2-enoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)N(C=C3C=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations