Geometry & MOs

Info

ID:	449976
PubChem CID:	135302907
Reduced:	ON7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	165.078979
ΔH_f, kcal/mol:	92.29
Dipole, Da:	1.99
IP(EA), eV:	-8.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-cyanocyclopropyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CC2(C1C(=O)NCC3=NC=C(C=C3)C#N)CC2)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations