Geometry & MOs

Info

ID:	376492
PubChem CID:	134222508
Reduced:	N7O7C47H55 (1)
Stoich.:	A7B7C47D55 (1)
Weight, g/mol:	270.100442
ΔH_f, kcal/mol:	-45.78
Dipole, Da:	9.4
IP(EA), eV:	-8.72(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(methylamino)phenyl]carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=C(C=CC(=C1)C2=CC(=C(C=C2)C(=O)O)OCCN(CC)C3=CC=C(C=C3)N=NC4=CC(=C(C=C4OC)N=NC5=CC=C(C=C5)[N+](=O)[O-])OC)N

DOS

IR

Vibrations