Geometry & MOs

Info

ID:	129368
PubChem CID:	51072388
Reduced:	O2N3C17H21 (1)
Stoich.:	A2B3C17D21 (1)
Weight, g/mol:	291.100777
ΔH_f, kcal/mol:	-40.1
Dipole, Da:	4.62
IP(EA), eV:	-9.53(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-phthalazin-1-yloxyethoxy)benzonitrile

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)COC2=NN=CC3=CC=CC=C32

DOS

IR

Vibrations