Geometry & MOs

Info

ID:	208642
PubChem CID:	80558985
Reduced:	ClOF2N2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	-129.65
Dipole, Da:	5.6
IP(EA), eV:	-8.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-aminocyclobutyl)amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1C(CC1NC2=CC(=C(C=C2)OC(F)F)Cl)N

DOS

IR

Vibrations