Geometry & MOs

Info

ID:	180754
PubChem CID:	76681114
Reduced:	O2N3H7C9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	361.042488
ΔH_f, kcal/mol:	9.77
Dipole, Da:	0.94
IP(EA), eV:	-9.67(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-phenylbutoxymethanone;tungsten

Drug info:

PubChemData

Smile

C1=CC2=C(NN=C2N=C1)C=CC(=O)O

DOS

IR

Vibrations