Geometry & MOs

Info

ID:	374419
PubChem CID:	131328926
Reduced:	SN3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	223.98368
ΔH_f, kcal/mol:	45.02
Dipole, Da:	2.44
IP(EA), eV:	-8.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=C(S1)N)C2=CC=CN2

DOS

IR

Vibrations