Geometry & MOs

Info

ID:	147802
PubChem CID:	53787460
Reduced:	H5N7C9 (1)
Stoich.:	A5B7C9 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	199.63
Dipole, Da:	3.5
IP(EA), eV:	-9.06(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxyethyl 3-ethyl-4-phenylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)N=[N+]=[N-])N=[N+]=[N-]

DOS

IR

Vibrations