Geometry & MOs

Info

ID:	68168
PubChem CID:	46507887
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	233.071975
ΔH_f, kcal/mol:	-16.78
Dipole, Da:	5.63
IP(EA), eV:	-9.16(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-pyrrolidin-1-ylphthalazine

Drug info:

PubChemData

Smile

C1CN(CC2=C1C(=O)N(C=N2)CC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations