Geometry & MOs

Info

ID:	270495
PubChem CID:	103636869
Reduced:	O4N6H10C11 (1)
Stoich.:	A4B6C10D11 (1)
Weight, g/mol:	269.12766
ΔH_f, kcal/mol:	91.89
Dipole, Da:	9.79
IP(EA), eV:	-9.46(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]phthalazin-1-amine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC2=CC=C(C3=NON=C23)[N+](=O)[O-]

DOS

IR

Vibrations