Geometry & MOs

Info

ID:	321517
PubChem CID:	126666508
Reduced:	O2F3N7H20C25 (1)
Stoich.:	A2B3C7D20E25 (1)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	4.67
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-4-ethylhept-2-enoic acid

Drug info:

PubChemData

Smile

C1CN(C(=N1)NC(=O)NC2=CC=C(C=C2)C3=NN(C=N3)C4=CC=C(C=C4)OC(F)(F)F)C5=CC=CC=C5

DOS

IR

Vibrations