Geometry & MOs

Info

ID:	260760
PubChem CID:	103202952
Reduced:	N5C15H19 (1)
Stoich.:	A5B15C19 (1)
Weight, g/mol:	278.127994
ΔH_f, kcal/mol:	82.73
Dipole, Da:	5.61
IP(EA), eV:	-9.31(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[[(2-pyrazol-1-ylpyridin-3-yl)amino]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CNC2CCCC2N3C=CN=C3

DOS

IR

Vibrations