Geometry & MOs

Info

ID:	411330
PubChem CID:	135084153
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	237.99933
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	4.23
IP(EA), eV:	-10.19(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-3-(4-methylphenyl)prop-2-enal

Drug info:

PubChemData

Smile

C/C(=N\OC(=O)C)/C1CC1

DOS

IR

Vibrations