Geometry & MOs

Info

ID:	58390
PubChem CID:	24698172
Reduced:	N2C7H7 (2)
Stoich.:	A2B7C7 (2)
Weight, g/mol:	157.052764
ΔH_f, kcal/mol:	77.66
Dipole, Da:	4.45
IP(EA), eV:	-8.37(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-prop-2-ynoxybenzonitrile

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C3=NC=C(C=C3)C(=N)N

DOS

IR

Vibrations