Geometry & MOs

Info

ID:	348548
PubChem CID:	127273659
Reduced:	SO3N5C18H25 (1)
Stoich.:	AB3C5D18E25 (1)
Weight, g/mol:	324.133474
ΔH_f, kcal/mol:	-85.26
Dipole, Da:	4.99
IP(EA), eV:	-9.64(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-oxo-3H-phthalazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)NC2CCC3=NC(=NN3C2)C)C

DOS

IR

Vibrations