Geometry & MOs

Info

ID:	287814
PubChem CID:	104295207
Reduced:	OF2N3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	296.17002
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	1.65
IP(EA), eV:	-8.75(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(aminomethyl)cyclohexyl]-2,4-difluoro-N,5-dimethylbenzamide

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C=C1)NC(=N2)C3=C(C=C(C(=C3)C)F)F

DOS

IR

Vibrations