Geometry & MOs

Info

ID:	397028
PubChem CID:	135029622
Reduced:	ClN3C7H12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	343.02079
ΔH_f, kcal/mol:	35.92
Dipole, Da:	4.53
IP(EA), eV:	-9.96(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-(4-bromophenyl)-3-oxo-1-phenylprop-1-enyl]acetamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](CC1)Cl)N=[N+]=[N-]

DOS

IR

Vibrations