Geometry & MOs

Info

ID:	30884
PubChem CID:	842102
Reduced:	O3N4H10C12 (1)
Stoich.:	A3B4C10D12 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	38.01
Dipole, Da:	4.19
IP(EA), eV:	-8.33(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-phenylbutanoylamino)benzoate

Drug info:

PubChemData

Smile

C1=CN=CC=C1C(=O)N=NC(=C2C=CN(C=C2)O)O

DOS

IR

Vibrations