Geometry & MOs

Info

ID:	218216
PubChem CID:	85089038
Reduced:	O2N3C28H35 (1)
Stoich.:	A2B3C28D35 (1)
Weight, g/mol:	443.279744
ΔH_f, kcal/mol:	-69.02
Dipole, Da:	5.36
IP(EA), eV:	-8.6(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-(3-phenylpyrazolidin-4-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C(=O)N2)CCN3CCC(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations