Geometry & MOs

Info

ID:	150092
PubChem CID:	53789778
Reduced:	NOSH17C18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	309.172879
ΔH_f, kcal/mol:	25.49
Dipole, Da:	5.47
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dibenzylamino)but-2-enyl acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)CSC#N)C)C

DOS

IR

Vibrations