Geometry & MOs

Info

ID:	27397
PubChem CID:	821102
Reduced:	BrNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	226.047738
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	5.35
IP(EA), eV:	-9.07(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxyterephthalic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Br

DOS

IR

Vibrations