Geometry & MOs

Info

ID:	402116
PubChem CID:	135054455
Reduced:	OSN2H22C24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	69.18
Dipole, Da:	8.45
IP(EA), eV:	-8.96(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(1S)-2-methyl-1-phenylbut-3-enyl]benzohydrazide

Drug info:

PubChemData

Smile

CCCC(=O)C[C@H]([C@@H]1CSC2=CC=CC=C2C1=C(C#N)C#N)C3=CC=CC=C3

DOS

IR

Vibrations