Geometry & MOs

Info

ID:	184105
PubChem CID:	77109358
Reduced:	FOCl2N2H7C11 (1)
Stoich.:	ABC2D2E7F11 (1)
Weight, g/mol:	265.086956
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	4.75
IP(EA), eV:	-9.9(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1F)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations