Geometry & MOs

Info

ID:	410891
PubChem CID:	135083692
Reduced:	NSH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	85.02
Dipole, Da:	2.24
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(carbamoyldiazenyl)-N,N-diethylbut-2-enamide

Drug info:

PubChemData

Smile

CN=C/C(=C/C1=CC=CS1)/C2=CC=CC=C2

DOS

IR

Vibrations