Geometry & MOs

Info

ID:	299504
PubChem CID:	117687087
Reduced:	N2O2F3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-210.42
Dipole, Da:	1.46
IP(EA), eV:	-8.86(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methylpiperazine-1-carbonyl)phenyl]guanidine

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)OC(F)(F)F

DOS

IR

Vibrations