Geometry & MOs

Info

ID:	260764
PubChem CID:	103203007
Reduced:	BrN4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	257.164046
ΔH_f, kcal/mol:	85.31
Dipole, Da:	3.72
IP(EA), eV:	-8.58(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNC2=C(C=CC(=C2)Br)N(C)C

DOS

IR

Vibrations