Geometry & MOs

Info

ID:	416436
PubChem CID:	135089449
Reduced:	SN5O6C34H49 (1)
Stoich.:	AB5C6D34E49 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-260.28
Dipole, Da:	5.1
IP(EA), eV:	-8.91(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[2-(1-oxophthalazin-2-yl)ethylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CCCC3=CC=CS3)C(C)C

DOS

IR

Vibrations