Geometry & MOs

Info

ID:	176101
PubChem CID:	75996092
Reduced:	ON4H8C12 (1)
Stoich.:	AB4C8D12 (1)
Weight, g/mol:	451.05498
ΔH_f, kcal/mol:	98.55
Dipole, Da:	5.54
IP(EA), eV:	-8.92(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-chlorophenyl)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CN=C3C(C=CC=C3C2=N1)C#N

DOS

IR

Vibrations