Geometry & MOs

Info

ID:	445594
PubChem CID:	135268431
Reduced:	F2O3N5C27H27 (1)
Stoich.:	A2B3C5D27E27 (1)
Weight, g/mol:	510.274324
ΔH_f, kcal/mol:	-92.79
Dipole, Da:	4.93
IP(EA), eV:	-8.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]pyridin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\C=C(/N=C)\OC)/C(C1=C(C=C(C(=C1)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)F)F)C(=O)N

DOS

IR

Vibrations