Geometry & MOs

Info

ID:	223504
PubChem CID:	85335137
Reduced:	NF2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	394.236876
ΔH_f, kcal/mol:	-170.86
Dipole, Da:	3.56
IP(EA), eV:	-9.26(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-oxo-5,6,7,8-tetrahydro-4aH-phthalazin-1-yl)phenyl]-5-pyrrolidin-1-ylpentanamide

Drug info:

PubChemData

Smile

CCCCC(C1=CC(=CC=C1)F)N2CCC2C(C3=CC(=CC=C3)C(F)(F)F)N

DOS

IR

Vibrations