Geometry & MOs

Info

ID:	296273
PubChem CID:	117565000
Reduced:	BrN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	264.111007
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	3.64
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxetane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2(COC2)C#N)Br

DOS

IR

Vibrations