Geometry & MOs

Info

ID:	426786
PubChem CID:	135153866
Reduced:	ClN3C8H8 (2)
Stoich.:	AB3C8D8 (2)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	82.78
Dipole, Da:	6.41
IP(EA), eV:	-9.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-aminoanilino)cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

C1C(CC1N)C2=NN=C(N2C3=CC=CC=C3Cl)C4=NC=NC=C4.Cl

DOS

IR

Vibrations