Geometry & MOs

Info

ID:	296407
PubChem CID:	117572250
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	1.54
IP(EA), eV:	-8.05(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(3-cyanoanilino)methyl]cyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCC2(CCC2)C(=O)OC

DOS

IR

Vibrations