Geometry & MOs

Info

ID:	35579
PubChem CID:	7980059
Reduced:	NC17H25 (1)
Stoich.:	AB17C25 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	5.17
Dipole, Da:	1.61
IP(EA), eV:	-8.86(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N'-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzohydrazide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@H]1C)NC/C=C/C2=CC=CC=C2

DOS

IR

Vibrations