Geometry & MOs

Info

ID:	73774
PubChem CID:	48420395
Reduced:	O3N5C15H19 (1)
Stoich.:	A3B5C15D19 (1)
Weight, g/mol:	409.094167
ΔH_f, kcal/mol:	-69.97
Dipole, Da:	10.31
IP(EA), eV:	-9.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(3-chloro-4-methylphenyl)-4-oxophthalazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=C(C=C1)C(=O)OCCN2C=NC=N2

DOS

IR

Vibrations