Geometry & MOs

Info

ID:	361302
PubChem CID:	127302497
Reduced:	FNOC7H8 (2)
Stoich.:	ABCD7E8 (2)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-84.68
Dipole, Da:	7.26
IP(EA), eV:	-9.27(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=CC(=CC(=C3)F)F)O

DOS

IR

Vibrations