Geometry & MOs

Info

ID:	253454
PubChem CID:	103118564
Reduced:	ON3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	77.48
Dipole, Da:	4.92
IP(EA), eV:	-9.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylpyrazole-3-carbonyl)pentanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C#N)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations