Geometry & MOs

Info

ID:	201343
PubChem CID:	79527381
Reduced:	OSN3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	328.05865
ΔH_f, kcal/mol:	-7.89
Dipole, Da:	4.61
IP(EA), eV:	-8.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(4-bromo-2-fluorophenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)N)SCC2=CN=CN2C(C)C

DOS

IR

Vibrations