Geometry & MOs

Info

ID:	147100
PubChem CID:	53786753
Reduced:	BrN3O10H28C34 (1)
Stoich.:	AB3C10D28E34 (1)
Weight, g/mol:	342.089209
ΔH_f, kcal/mol:	-326.77
Dipole, Da:	5.99
IP(EA), eV:	-9.39(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-formylnaphthalen-2-yl)-1-hydroxynaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CCC1(C(=O)NC(=O)NC1=O)CC(=C)Br)COC(=O)N(C)C2=C(C=CC3=C2OC4=C(C35C6=CC=CC=C6C(=O)O5)C=CC(=C4)O)O

DOS

IR

Vibrations