Geometry & MOs

Info

ID:	32318
PubChem CID:	6436505
Reduced:	O3C11H12 (1)
Stoich.:	A3B11C12 (1)
Weight, g/mol:	426.82412
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	4.59
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(3-amino-2,4,6-tribromophenyl)methylidene]butanoic acid

Drug info:

PubChemData

Smile

CC/C(=C/C1=CC(=CC=C1)O)/C(=O)O

DOS

IR

Vibrations