Geometry & MOs

Info

ID:	223444
PubChem CID:	85335053
Reduced:	SN4O4H12C16 (1)
Stoich.:	AB4C4D12E16 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	11.35
IP(EA), eV:	-9.2(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N2)SC3=CC(=CC4=NC(=O)NC34)C(=O)O

DOS

IR

Vibrations