Geometry & MOs

Info

ID:	191896
PubChem CID:	78198888
Reduced:	O2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	334.156895
ΔH_f, kcal/mol:	35.3
Dipole, Da:	4.51
IP(EA), eV:	-9.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-7-phenylmethoxy-4a,5,6,7,8,8a-hexahydrochromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C(NN(C2=O)C3=CC=CC=C3)C#N

DOS

IR

Vibrations