Geometry & MOs

Info

ID:	123498
PubChem CID:	50850387
Reduced:	SO2N4H6C11 (1)
Stoich.:	AB2C4D6E11 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	81.64
Dipole, Da:	6.1
IP(EA), eV:	-9.9(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-methoxyphenyl)pyrrol-2-yl]methyl]cyclohexanamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C2=NN3C(=NN=C3S2)C=O)C=O

DOS

IR

Vibrations