Geometry & MOs

Info

ID:	427964
PubChem CID:	135165605
Reduced:	BrN2O4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	526.168415
ΔH_f, kcal/mol:	-160.4
Dipole, Da:	2.82
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-benzyl-7-chloro-6-(5-fluoro-1H-indazol-4-yl)phthalazin-1-yl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=NC2=CC=CC=C2C(=C1)Br)C(=O)OC(C)(C)C

DOS

IR

Vibrations