Geometry & MOs

Info

ID:	198421
PubChem CID:	79099282
Reduced:	F2N5C9H9 (1)
Stoich.:	A2B5C9D9 (1)
Weight, g/mol:	208.157563
ΔH_f, kcal/mol:	7.19
Dipole, Da:	7.33
IP(EA), eV:	-9.86(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,5-dimethylpyrrol-1-yl)amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)NCC(F)F

DOS

IR

Vibrations