Geometry & MOs

Info

ID:	56428
PubChem CID:	17425425
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	5.12
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)phenyl]-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2=CC3=C(C=C2)N4CCCC4C(=O)N3

DOS

IR

Vibrations