Geometry & MOs

Info

ID:	287815
PubChem CID:	104295302
Reduced:	OF2N2C16H22 (1)
Stoich.:	AB2C2D16E22 (1)
Weight, g/mol:	296.17002
ΔH_f, kcal/mol:	-139.94
Dipole, Da:	5.78
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(aminomethyl)-2-methylcyclohexyl]-2,4-difluoro-5-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)N(C)C2CCCCC2CN

DOS

IR

Vibrations