Geometry & MOs

Info

ID:	178235
PubChem CID:	76299066
Reduced:	O2N3C12H14 (2)
Stoich.:	A2B3C12D14 (2)
Weight, g/mol:	444.04332
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	4.22
IP(EA), eV:	-9.52(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-bromo-2-propan-2-yloxybenzoyl)-4-oxo-1H-phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CN(CC3=CC=CC=C3)C4C(N(C(=O)NC4=O)CCOC)N

DOS

IR

Vibrations