Geometry & MOs

Info

ID:	299001
PubChem CID:	117666234
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	390.187419
ΔH_f, kcal/mol:	43.05
Dipole, Da:	7.74
IP(EA), eV:	-8.43(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[[(4,4-dimethylcyclohexyl)amino]methyl]phenyl]-3-fluorobenzamide;hydrochloride

Drug info:

PubChemData

Smile

CCN1C=CC2=C(C=CC=C21)NC3=NC(=NC=C3C(=O)N)N[C@@H](CN)C4CC4

DOS

IR

Vibrations