Geometry & MOs

Info

ID:	149740
PubChem CID:	53789415
Reduced:	OC6H11 (4)
Stoich.:	AB6C11 (4)
Weight, g/mol:	289.095023
ΔH_f, kcal/mol:	-262.91
Dipole, Da:	1.11
IP(EA), eV:	-10.36(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl 5-(2-nitrophenyl)-3-oxopent-4-enoate

Drug info:

PubChemData

Smile

CC[C@H]1C[C@H]1CC(CC[C@H]2CCC[C@@H]2CCCCC(C)(C)CC(=O)O)C(O)O

DOS

IR

Vibrations