Geometry & MOs

Info

ID:	445566
PubChem CID:	135268143
Reduced:	NC4H5 (7)
Stoich.:	AB4C5 (7)
Weight, g/mol:	457.259009
ΔH_f, kcal/mol:	127.2
Dipole, Da:	3.88
IP(EA), eV:	-8.35(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-[(4-benzylphthalazin-1-yl)amino]ethylamino]pyrazin-2-yl]-1-(dimethylamino)propan-2-ol

Drug info:

PubChemData

Smile

CC(CN(C)C)C1=CN=C(C=N1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5CC=CC=C5

DOS

IR

Vibrations