Geometry & MOs

Info

ID:	79327
PubChem CID:	49748057
Reduced:	FO3N5C26H30 (1)
Stoich.:	AB3C5D26E30 (1)
Weight, g/mol:	320.20124
ΔH_f, kcal/mol:	-120.26
Dipole, Da:	5.98
IP(EA), eV:	-8.38(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC3=C4C(=C2)CCN4C(=O)CC3)C5=CC=C(C=C5)F

DOS

IR

Vibrations