Geometry & MOs

Info

ID:	405021
PubChem CID:	135072138
Reduced:	N2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	231.008706
ΔH_f, kcal/mol:	61.96
Dipole, Da:	2.82
IP(EA), eV:	-9.45(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-chloro-4-oxochromen-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

[C-]#[N+]CCCC(=NC1CCCCC1)C2=CC=CC=C2

DOS

IR

Vibrations