Geometry & MOs

Info

ID:	195052
PubChem CID:	78628015
Reduced:	OS2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	282.111676
ΔH_f, kcal/mol:	87.57
Dipole, Da:	3.93
IP(EA), eV:	-8.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyanoethyl 3-(1-benzyltriazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(C#N)SC2=NN=C(S2)NC3=CC=CC=C3OC

DOS

IR

Vibrations