Geometry & MOs

Info

ID:	401775
PubChem CID:	135052499
Reduced:	BrNSO2C20H20 (1)
Stoich.:	ABCD2E20F20 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	-27.49
Dipole, Da:	8.74
IP(EA), eV:	-7.64(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-phenyl-3-(phenylhydrazinylidene)propanal

Drug info:

PubChemData

Smile

CC1=C(SC=[N+]1CC2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3.[Br-]

DOS

IR

Vibrations