Geometry & MOs

Info

ID:	28486
PubChem CID:	827921
Reduced:	N3H15C16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	326.105528
ΔH_f, kcal/mol:	97.05
Dipole, Da:	2.74
IP(EA), eV:	-8.64(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-phenylmethoxyphenoxy)benzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=N2)N=CC3=CC=CC=C3

DOS

IR

Vibrations