Geometry & MOs

Info

ID:	121768
PubChem CID:	50780839
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	410.184172
ΔH_f, kcal/mol:	47.53
Dipole, Da:	5.09
IP(EA), eV:	-8.56(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethoxycarbonylpiperidin-1-yl)-2-[(4-methylbenzoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)NC2=CC=C(C=C2)C(C)C)C3=CC=C(C=C3)C4=NOC(=N4)C

DOS

IR

Vibrations