Geometry & MOs

Info

ID:	373655
PubChem CID:	131318306
Reduced:	BrN3C10H12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	305.97529
ΔH_f, kcal/mol:	58.02
Dipole, Da:	4.47
IP(EA), eV:	-9.14(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-iodo-3-methoxy-2-methylphenyl)acetic acid

Drug info:

PubChemData

Smile

CC(C)(C#N)N(C)C1=NC=C(C=C1)Br

DOS

IR

Vibrations