Geometry & MOs

Info

ID:	19998
PubChem CID:	576487
Reduced:	N3H7C8 (1)
Stoich.:	A3B7C8 (1)
Weight, g/mol:	145.063997
ΔH_f, kcal/mol:	73.96
Dipole, Da:	6.4
IP(EA), eV:	-9.58(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyanomethyl)-1H-pyrrol-3-yl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CN1)CC#N)CC#N

DOS

IR

Vibrations