Geometry & MOs

Info

ID:	445576
PubChem CID:	135268291
Reduced:	FON6H21C25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	383.236148
ΔH_f, kcal/mol:	80.65
Dipole, Da:	12.16
IP(EA), eV:	-8.53(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(4-phenylpiperidin-1-yl)-4a,5,8,8a-tetrahydrophthalazine

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NNC(=C4C3=CC(=O)C=C4)CC5=CC=C(C=C5)F

DOS

IR

Vibrations