Geometry & MOs

Info

ID:	175775
PubChem CID:	75945599
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-42.85
Dipole, Da:	3.15
IP(EA), eV:	-8.14(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(butylcarbamoyl)cyclohexyl]-3-(1,4-dioxo-4a,5,8,8a-tetrahydro-3H-phthalazin-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NC(C)CC(=O)NC2=CC(=CC=C2)N3CCCC3

DOS

IR

Vibrations