Geometry & MOs

Info

ID:	263297
PubChem CID:	103353808
Reduced:	ClN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	270.117984
ΔH_f, kcal/mol:	25.95
Dipole, Da:	2.21
IP(EA), eV:	-9.08(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1-aminocyclobutyl)methylamino]-2,3-difluorobenzoate

Drug info:

PubChemData

Smile

CCC1CCN(C(C1)CN)C2=C(C=CC(=C2)Cl)C#N

DOS

IR

Vibrations