Geometry & MOs

Info

ID:	230314
PubChem CID:	87570634
Reduced:	N2O3F6H18C25 (1)
Stoich.:	A2B3C6D18E25 (1)
Weight, g/mol:	410.268176
ΔH_f, kcal/mol:	-373.06
Dipole, Da:	2.53
IP(EA), eV:	-9.27(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]phenyl]cyclopropane-1-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(N(C2=O)CC3=CC=C(C=C3)O)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations