Geometry & MOs

Info

ID:	268675
PubChem CID:	103600411
Reduced:	OCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-7.98
Dipole, Da:	3.98
IP(EA), eV:	-8.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]phthalazin-1-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations