Geometry & MOs

Info

ID:	426781
PubChem CID:	135153847
Reduced:	O2C7H13 (4)
Stoich.:	A2B7C13 (4)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-316.79
Dipole, Da:	1.44
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-4-cyanoanilino)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C)(CC(C)OC(=O)/C=C/C(=O)OC(C)CC(C)(CCC)OOC(C)(C)C)OOC(C)(C)C

DOS

IR

Vibrations