Geometry & MOs

Info

ID:	372400
PubChem CID:	131296979
Reduced:	BrClON2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	205.157898
ΔH_f, kcal/mol:	-18.14
Dipole, Da:	4.99
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-amino-3-methylbutan-2-yl)-1,4-dimethylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

C1C(C(=O)C2=CC(=C(C=C2N1)Cl)Br)CN

DOS

IR

Vibrations