Geometry & MOs

Info

ID:	374251
PubChem CID:	131325852
Reduced:	BrNC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	212.116092
ΔH_f, kcal/mol:	26.8
Dipole, Da:	2.36
IP(EA), eV:	-8.8(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yl-2-(methoxymethyl)imidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)Br)Br)N2CCNCC2

DOS

IR

Vibrations