Geometry & MOs

Info

ID:	223442
PubChem CID:	85335049
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-53.7
Dipole, Da:	7.74
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminoethylamino)-N-[3-(4-oxo-5,6,7,8-tetrahydro-4aH-phthalazin-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CC(=O)C2CCN(CC2)CC3C(=O)N=CC=N3

DOS

IR

Vibrations