Geometry & MOs

Info

ID:	378119
PubChem CID:	134224191
Reduced:	O4F6N7H25C31 (1)
Stoich.:	A4B6C7D25E31 (1)
Weight, g/mol:	191.1674
ΔH_f, kcal/mol:	-315.63
Dipole, Da:	3.84
IP(EA), eV:	-8.95(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethylpentan-2-yl)cyclopent-2-ene-1-carbonitrile

Drug info:

PubChemData

Smile

CN(CCOC1=CN=C(C=C1)C2=NC3=C(N2)C=C(C=C3)OC(F)(F)F)CCOC4=CN=C(C=C4)C5=NC6=C(N5)C=C(C=C6)OC(F)(F)F

DOS

IR

Vibrations