Geometry & MOs

Info

ID:	35022
PubChem CID:	7979204
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	390.05791
ΔH_f, kcal/mol:	-72.71
Dipole, Da:	4.33
IP(EA), eV:	-9.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(4-bromophenoxy)butanoyl]-4-methylbenzohydrazide

Drug info:

PubChemData

Smile

C[C@@H](C#N)OC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations