Geometry & MOs

Info

ID:	38370
PubChem CID:	8033670
Reduced:	ClN5H6C8 (1)
Stoich.:	AB5C6D8 (1)
Weight, g/mol:	243.173548
ΔH_f, kcal/mol:	122.87
Dipole, Da:	4.94
IP(EA), eV:	-9.38(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-[2-(cyclohexen-1-yl)ethyl]-4,5-dimethylpyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

C1C2=C(C=CC=C2Cl)N3C(=N1)N=NN3

DOS

IR

Vibrations