Geometry & MOs

Info

ID:	147014
PubChem CID:	53777044
Reduced:	N5C7H7 (1)
Stoich.:	A5B7C7 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	100.31
Dipole, Da:	1.58
IP(EA), eV:	-8.78(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyano-3-(N,3-dimethylanilino)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)NC2=NNN=C2

DOS

IR

Vibrations