Geometry & MOs

Info

ID:	22017
PubChem CID:	595090
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	9.98
IP(EA), eV:	-9.42(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-butylbenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations