Geometry & MOs

Info

ID:	296276
PubChem CID:	117565081
Reduced:	ClNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	269.045486
ΔH_f, kcal/mol:	-140.35
Dipole, Da:	1.92
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-chlorophenyl)carbamoyl]oxetane-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2(COC2)C(=O)O)Cl

DOS

IR

Vibrations