Geometry & MOs

Info

ID:	85377
PubChem CID:	49874635
Reduced:	ClO2H13C15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	304.00989
ΔH_f, kcal/mol:	-50.79
Dipole, Da:	4.64
IP(EA), eV:	-9.12(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-hydroxy-5-[(2-methylphenyl)methyl]benzaldehyde

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=CC(=C(C(=C2)Cl)O)C=O

DOS

IR

Vibrations