Geometry & MOs

Info

ID:	337662
PubChem CID:	127258285
Reduced:	OC14H22 (1)
Stoich.:	AB14C22 (1)
Weight, g/mol:	253.99424
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	4.41
IP(EA), eV:	-9.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]butanal

Drug info:

PubChemData

Smile

CC/C(=C\C1C(CC(=CC1C)C)C)/C=O

DOS

IR

Vibrations