Geometry & MOs

Info

ID:	207471
PubChem CID:	80401246
Reduced:	NC20H31 (1)
Stoich.:	AB20C31 (1)
Weight, g/mol:	250.184527
ΔH_f, kcal/mol:	-14.55
Dipole, Da:	0.71
IP(EA), eV:	-8.72(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-2-N-(3-fluorophenyl)propane-1,2-diamine

Drug info:

PubChemData

Smile

CCCNC/C(=C/C1=CC(=C(C=C1)C)C)/C2CCCCC2

DOS

IR

Vibrations