Geometry & MOs

Info

ID:	291963
PubChem CID:	113993954
Reduced:	NO4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	371.8932
ΔH_f, kcal/mol:	-175.78
Dipole, Da:	2.43
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-4-(pyrimidin-2-ylmethoxy)benzaldehyde

Drug info:

PubChemData

Smile

CC(C)[C@@H](CO)NC(=O)C1=C(C=CC(=C1)O)O

DOS

IR

Vibrations