Geometry & MOs

Info

ID:	199174
PubChem CID:	79209571
Reduced:	ClFNO3H13C14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-151.04
Dipole, Da:	6.68
IP(EA), eV:	-9.84(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(phenyl)methyl]bicyclo[4.1.0]heptane-7-carboxamide

Drug info:

PubChemData

Smile

C1C(C=CC1NC(=O)CC2=C(C=CC=C2Cl)F)C(=O)O

DOS

IR

Vibrations