Geometry & MOs

Info

ID:	445608
PubChem CID:	135268488
Reduced:	FO2N5H24C25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	412.201159
ΔH_f, kcal/mol:	-2.81
Dipole, Da:	6.21
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1CC2=NN=C(C=C2)OC)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F

DOS

IR

Vibrations