Geometry & MOs

Info

ID:	83846
PubChem CID:	49861746
Reduced:	N4C27H52 (1)
Stoich.:	A4B27C52 (1)
Weight, g/mol:	444.419198
ΔH_f, kcal/mol:	-58.97
Dipole, Da:	2.32
IP(EA), eV:	-8.44(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-N-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydrophthalazin-1-amine

Drug info:

PubChemData

Smile

CCCC1CC(NNC1C2CCCCC2)NCCC3CCN(CC3)CC4CCCCC4

DOS

IR

Vibrations